methyl 2-[(2-azanyl-4-sulfanyl-butanoyl)-phenylmethoxycarbonyl-amino]-3-(2-methanoylphenyl)propanoate

Systemtic Name: methyl 2-[(2-azanyl-4-sulfanyl-butanoyl)-phenylmethoxycarbonyl-amino]-3-(2-methanoylphenyl)propanoate Openeye Name: methyl 2-[(2-amino-4-sulfanyl-butanoyl)-benzyloxycarbonyl-amino]-3-(2-formylphenyl)propanoate CAS Name: 2-[(2-amino-4-mercapto-1-oxobutyl)-phenylmethoxycarbonylamino]-3-(2-formylphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-4-sulfanylbutanoyl)-phenylmethoxycarbonylamino]-3-(2-formylphenyl)propanoate Traditional Name: 2-[(2-amino-4-mercapto-butanoyl)-carbobenzoxy-amino]-3-(2-formylphenyl)propionic acid methyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1C=O)N(C(=O)C(CCS)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1C=O)N(C(=O)C(CCS)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O6S/c1-30-22(28)20(13-17-9-5-6-10-18(17)14-26)25(21(27)19(24)11-12-32)23(29)31-15-16-7-3-2-4-8-16/h2-10,14,19-20,32H,11-13,15,24H2,1H3