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Peptidomiméticos

Compuestos orgánicos que son pequeñas cadenas similares a proteínas diseñadas para emular un péptido; los péptidos son pequeñas cadenas de aminoácidos unidos por enlaces peptídicos.
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1

Daptomycin, TRC

CAS: 103060-53-3 Fórmula molecular: C72 H101 N17 O26 Peso molecular (g/mol): 1620.67 Sinónimo: Daptomycin,1-Oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontane, cyclic peptide deriv.,Benzenebutanoic acid, N-(1-oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-L-α-aspartylglycyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-α,2-diamino-γ-oxo-, (13→4)-lactone, (αS)-,Cidecin,Cubicin,Dapcin,Daptomicina,Daptomycine,Daptomycinum,Deptomycin,LY 146032,N-(1-Oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-L-α-aspartylglycyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-(αS)-α,2-diamino-γ-oxobenzenebutanoic acid (13→4)-lactone Nombre IUPAC: (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid SMILES: CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)c4ccccc4N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)[C@H](C)CC(=O)O

Sinónimo Daptomycin,1-Oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontane, cyclic peptide deriv.,Benzenebutanoic acid, N-(1-oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-L-α-aspartylglycyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-α,2-diamino-γ-oxo-, (13→4)-lactone, (αS)-,Cidecin,Cubicin,Dapcin,Daptomicina,Daptomycine,Daptomycinum,Deptomycin,LY 146032,N-(1-Oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-L-α-aspartylglycyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-(αS)-α,2-diamino-γ-oxobenzenebutanoic acid (13→4)-lactone
Fórmula molecular C72 H101 N17 O26
CAS 103060-53-3
Peso molecular (g/mol) 1620.67
SMILES CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)c4ccccc4N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)[C@H](C)CC(=O)O
Nombre IUPAC (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid
2

MMAE, TRC

CAS: 474645-27-7 Fórmula molecular: C39H67N5O7 Peso molecular (g/mol): 717.98 Sinónimo: N-Methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide,MMAE,Monomethylauristatin E,Monomethylauristatin Norephedrine Nombre IUPAC: (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide SMILES: CC[C@@H]([C@H](N(C([C@@H](NC([C@@H](NC)C(C)C)=O)C(C)C)=O)C)[C@H](OC)CC(N1CCC[C@H]1[C@H](OC)[C@H](C(N[C@@H]([C@@H](O)C2=CC=CC=C2)C)=O)C)=O)C

Sinónimo N-Methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide,MMAE,Monomethylauristatin E,Monomethylauristatin Norephedrine
Fórmula molecular C39H67N5O7
CAS 474645-27-7
Peso molecular (g/mol) 717.98
SMILES CC[C@@H]([C@H](N(C([C@@H](NC([C@@H](NC)C(C)C)=O)C(C)C)=O)C)[C@H](OC)CC(N1CCC[C@H]1[C@H](OC)[C@H](C(N[C@@H]([C@@H](O)C2=CC=CC=C2)C)=O)C)=O)C
Nombre IUPAC (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
3

Sal de ácido trifluoroacético de peforelina (> 90%), CTR

Moléculas orgánicas de alta pureza y estándares analíticos, entregados estratégicamente en todo el mundo para potenciar la innovación y el éxito comercial.

Sinónimo 3-L-Tryptophan-5-L-histidine-6-L-aspartic Acid Luteinizing Hormone-releasing Factor I (Petromyzon Marinus) Trifluoroacetic Acid Salt,Luteinizing Hormone-releasing Factor III (Petromyzon Marinus) Trifluoroacetic Acid Salt,5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-histidyl-L-α-aspartyl-L-tryptophyl-L-lysyl-L-prolylglycinamide Trifluoroacetic Acid Salt,Lamprey GnRH III Trifluoroacetic Acid Salt,Lamprey LH-RH III Trifluoroacetic Acid Salt
Fórmula molecular C59H74N18O14 .C2HF3O2
Fórmula InChI InChI=1S/C59H74N18O14.C2HF3O2/c60-16-6-5-12-40(59(91)77-17-7-13-47(77)58(90)66-27-48(61)79)70-52(84)41(18-31-23-64-37-10-3-1-8-35(31)37)72-56(88)45(22-50(81)82)75-55(87)44(21-34-26-63-30-68-34)74-57(89)46(28-78)76-53(85)42(19-32-24-65-38-11-4-2-9-36(32)38)71-54(86)43(20-33-25-62-29-67-33)73-51(83)39-14-15-49(80)69-39;3-2(4,5)1(6)7/h1-4,8-11,23-26,29-30,39-47,64-65,78H,5-7,12-22,27-28,60H2,(H2,61,79)(H,62,67)(H,63,68)(H,66,90)(H,69,80)(H,70,84)(H,71,86)(H,72,88)(H,73,83)(H,74,89)(H,75,87)(H,76,85)(H,81,82);(H,6,7)/t39-,40-,41-,42-,43-,44-,45-,46-,47-;/m0./s1
Nombre del producto químico o material Peforelin Trifluoroacetic Acid Salt
Almacenamiento recomendado +4 °C
SMILES O=C(O)C(F)(F)F.O=C([C@@H](NC([C@H](CC1=CN=CN1)NC([C@@H](NC([C@H](CC2=CNC3=CC=CC=C32)NC([C@H](CC4=CN=CN4)NC([C@H]5NC(CC5)=O)=O)=O)=O)CO)=O)=O)CC(O)=O)N[C@H](C(N[C@H](C(N6CCC[C@H]6C(NCC(N)=O)=O)=O)CCCCN)=O)CC7=CNC8=CC=CC=C87
4

5,5-Diphenylhydantoin-3-butyric Acid, TRC

CAS: 56976-66-0 Fórmula molecular: C19 H18 N2 O4 Peso molecular (g/mol): 338.36 Nombre IUPAC: 4-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)butanoic acid SMILES: OC(=O)CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3

Fórmula molecular C19 H18 N2 O4
CAS 56976-66-0
Peso molecular (g/mol) 338.36
SMILES OC(=O)CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3
Nombre IUPAC 4-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)butanoic acid
5

Romidepsin, TRC

CAS: 128517-07-7 Fórmula molecular: C24 H36 N4 O6 S2 Peso molecular (g/mol): 540.7 Sinónimo: Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl], cyclic (3→5)-disulfide,L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(Z)-2,3-didehydro-2-aminobutanoyl-, (4→1)-lactone, cyclic (1→2)-disulfide, [S-(E)]-,2-Oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricosane, cyclic peptide deriv.,Antibiotic FR 901228,Chromadax,FK 228,FR 901228,Istodax,NSC 630176,Romidepsin Nombre IUPAC: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone SMILES: C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C

Sinónimo Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl], cyclic (3→5)-disulfide,L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(Z)-2,3-didehydro-2-aminobutanoyl-, (4→1)-lactone, cyclic (1→2)-disulfide, [S-(E)]-,2-Oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricosane, cyclic peptide deriv.,Antibiotic FR 901228,Chromadax,FK 228,FR 901228,Istodax,NSC 630176,Romidepsin
Fórmula molecular C24 H36 N4 O6 S2
CAS 128517-07-7
Peso molecular (g/mol) 540.7
SMILES C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C
Nombre IUPAC (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
7

Actinomycin D (Dactinomycin), TRC

CAS: 50-76-0 Fórmula molecular: C62 H86 N12 O16 Peso molecular (g/mol): 1255.42 Sinónimo: Actinomycin D,3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(hexadecahydro-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo- (7CI),Actinomycin C1 (6CI),1H-Pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecine, cyclic peptide deriv.,3H-Phenoxazine, actinomycin D deriv.,AD,Actactinomycin A IV,Actinomycin 7,Actinomycin AIV,Actinomycin I1,Actinomycin IV,Actinomycin X1,Actinomycindioic D acid, dilactone,C 1,Chounghwamycin B,Cosmegen,Dactinomycin,Dactinomycin D,Dilactone actinomycin D acid,Dilactone actinomycindioic D acid,Lyovac cosmegen,Meractinomycin,NCI C04682,NSC 3053,Oncostatin K Nombre IUPAC: 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide SMILES: CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O

Sinónimo Actinomycin D,3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(hexadecahydro-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo- (7CI),Actinomycin C1 (6CI),1H-Pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecine, cyclic peptide deriv.,3H-Phenoxazine, actinomycin D deriv.,AD,Actactinomycin A IV,Actinomycin 7,Actinomycin AIV,Actinomycin I1,Actinomycin IV,Actinomycin X1,Actinomycindioic D acid, dilactone,C 1,Chounghwamycin B,Cosmegen,Dactinomycin,Dactinomycin D,Dilactone actinomycin D acid,Dilactone actinomycindioic D acid,Lyovac cosmegen,Meractinomycin,NCI C04682,NSC 3053,Oncostatin K
Fórmula molecular C62 H86 N12 O16
CAS 50-76-0
Peso molecular (g/mol) 1255.42
SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O
Nombre IUPAC 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
8

(8S,9R)-BMN 673, TRC

CAS: 1207456-01-6 Fórmula molecular: C19H14F2N6O Peso molecular (g/mol): 380.35 Sinónimo: (8S,9R)-BMN 673,(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazin-3-one SMILES: Cn1ncnc1[C@@H]2[C@H](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5

Sinónimo (8S,9R)-BMN 673,(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazin-3-one
Fórmula molecular C19H14F2N6O
CAS 1207456-01-6
Peso molecular (g/mol) 380.35
SMILES Cn1ncnc1[C@@H]2[C@H](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5
9

Cyclosporin B, TRC

CAS: 63775-95-1 Fórmula molecular: C61 H109 N11 O12 Peso molecular (g/mol): 1188.58 Sinónimo: Ciclosporin B,7-L-Alanine-cyclosporin A,Cyclosporin B,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Antibiotic S 7481F2,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-alanyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl] Nombre IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28,30-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](C)NC1=O)C(C)C

Sinónimo Ciclosporin B,7-L-Alanine-cyclosporin A,Cyclosporin B,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Antibiotic S 7481F2,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-alanyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl]
Fórmula molecular C61 H109 N11 O12
CAS 63775-95-1
Peso molecular (g/mol) 1188.58
SMILES C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](C)NC1=O)C(C)C
Nombre IUPAC (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28,30-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
10

N-Acetyl-L-carnosine, TRC

CAS: 56353-15-2 Fórmula molecular: C11 H16 N4 O4 Peso molecular (g/mol): 268.27 Nombre IUPAC: (2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-4-yl)propanoic acid SMILES: CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

Fórmula molecular C11 H16 N4 O4
CAS 56353-15-2
Peso molecular (g/mol) 268.27
SMILES CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
Nombre IUPAC (2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-4-yl)propanoic acid
11

L-Carnosine, TRC

CAS: 305-84-0 Fórmula molecular: C9 H14 N4 O3 Peso molecular (g/mol): 226.23 Sinónimo: β-Alanyl-L-histidine,Carnosine (8CI),β-Alanyl-L-histidine,2: PN: WO2009033754 PAGE: 98 claimed protein,Dragosine,Ignotin,Ignotine,Karnozin,L-Carnosine,N-(β-Alanyl)-L-histidine,NSC 524045,Sevitin,β-Alanylhistidine Nombre IUPAC: (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid SMILES: NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

Sinónimo β-Alanyl-L-histidine,Carnosine (8CI),β-Alanyl-L-histidine,2: PN: WO2009033754 PAGE: 98 claimed protein,Dragosine,Ignotin,Ignotine,Karnozin,L-Carnosine,N-(β-Alanyl)-L-histidine,NSC 524045,Sevitin,β-Alanylhistidine
Fórmula molecular C9 H14 N4 O3
CAS 305-84-0
Peso molecular (g/mol) 226.23
SMILES NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
Nombre IUPAC (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
12

Monomethyl Auristatin F, TRC

CAS: 745017-94-1 Fórmula molecular: C39H65N5O8 Peso molecular (g/mol): 731.96 Sinónimo: N-Methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-L-phenylalanine,MMAF,Monomethylauristatin Phenylalanine SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C

Sinónimo N-Methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-L-phenylalanine,MMAF,Monomethylauristatin Phenylalanine
Fórmula molecular C39H65N5O8
CAS 745017-94-1
Peso molecular (g/mol) 731.96
SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C
13

Enramycin A, TRC

CAS: 34438-27-2 Fórmula molecular: C107H138Cl2N26O31 Peso molecular (g/mol): 2355.33 Sinónimo: 1-Oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontane, enduracidin A derivative,[1(Z,E),10(R),15(R)]-N-(10-Methyl-1-oxo-2,4-undecadienyl)-L-α-aspartyl-L-threonyl-D-2-(4-hydroxyphenyl)glycyl-D-ornithyl-D-allothreonyl-L-2-(4-hydroxyphenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-L-allothreonyl-N5-(aminocarbonyl)-L-ornithyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-D-alanyl-L-2-(4-hydroxyphenyl)glycyl-D-seryl-L-2-(3,5-dichloro-4-hydroxyphenyl)glycylglycyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-L-alanyl-D-alanyl-L-2-(4-hydroxyphenyl)glycine ψ1-lactone; SMILES: CC(C)CCCC\C=C\C=C/C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C[C@@H]2CN=C(N)N2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H]3CN=C(N)N3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC1=O)c4ccc(O)cc4)[C@@H](C)O)c5ccc(O)cc5)c6ccc(O)cc6)[C@H](C)O)c7ccc(O)cc7)c8cc(Cl)c(O)c(Cl)c8)c9ccc(O)cc9

Sinónimo 1-Oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontane, enduracidin A derivative,[1(Z,E),10(R),15(R)]-N-(10-Methyl-1-oxo-2,4-undecadienyl)-L-α-aspartyl-L-threonyl-D-2-(4-hydroxyphenyl)glycyl-D-ornithyl-D-allothreonyl-L-2-(4-hydroxyphenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-L-allothreonyl-N5-(aminocarbonyl)-L-ornithyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-D-alanyl-L-2-(4-hydroxyphenyl)glycyl-D-seryl-L-2-(3,5-dichloro-4-hydroxyphenyl)glycylglycyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-L-alanyl-D-alanyl-L-2-(4-hydroxyphenyl)glycine ψ1-lactone;
Fórmula molecular C107H138Cl2N26O31
CAS 34438-27-2
Peso molecular (g/mol) 2355.33
SMILES CC(C)CCCC\C=C\C=C/C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C[C@@H]2CN=C(N)N2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H]3CN=C(N)N3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC1=O)c4ccc(O)cc4)[C@@H](C)O)c5ccc(O)cc5)c6ccc(O)cc6)[C@H](C)O)c7ccc(O)cc7)c8cc(Cl)c(O)c(Cl)c8)c9ccc(O)cc9
14

Valspodar, TRC

CAS: 121584-18-7 Fórmula molecular: C63 H111 N11 O12 Peso molecular (g/mol): 1214.62 Sinónimo: 6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoic Acid]-7-L-valine- Nombre IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C

Sinónimo 6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoic Acid]-7-L-valine-
Fórmula molecular C63 H111 N11 O12
CAS 121584-18-7
Peso molecular (g/mol) 1214.62
SMILES C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C
Nombre IUPAC (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
15

Valinomycin, TRC

CAS: 2001-95-8 Fórmula molecular: C54 H90 N6 O18 Peso molecular (g/mol): 1111.32 Sinónimo: 3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone,1Cyclo(D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-α- Nombre IUPAC: (3S,6S,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone SMILES: CC(C)[C@H]1NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)C(NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C

Sinónimo 3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone,1Cyclo(D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-α-
Fórmula molecular C54 H90 N6 O18
CAS 2001-95-8
Peso molecular (g/mol) 1111.32
SMILES CC(C)[C@H]1NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)C(NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
Nombre IUPAC (3S,6S,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone