1-(2-azanylethanoyl)-2-ethanoylsulfanyl-5-phenyl-3-[3-(4-phenylmethoxycarbonyloxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-azanylethanoyl)-2-ethanoylsulfanyl-5-phenyl-3-[3-(4-phenylmethoxycarbonyloxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 2-acetylsulfanyl-1-(2-aminoacetyl)-3-[3-(4-benzyloxycarbonyloxyphenyl)propanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 2-(acetylthio)-1-(2-amino-1-oxoethyl)-3-[1-oxo-3-(4-phenylmethoxycarbonyloxyphenyl)propyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-acetylsulfanyl-1-(2-aminoacetyl)-5-phenyl-3-[3-(4-phenylmethoxycarbonyloxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 2-(acetylthio)-3-[3-(4-carbobenzoxyoxyphenyl)propanoyl]-1-glycyl-5-phenyl-proline Formula: C32H32N2O8S MolecularWeight: 604.67008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1(C(CC(N1C(=O)CN)C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)OC(=O)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)SC1(C(CC(N1C(=O)CN)C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)OC(=O)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C32H32N2O8S/c1-21(35)43-32(30(38)39)26(18-27(34(32)29(37)19-33)24-10-6-3-7-11-24)28(36)17-14-22-12-15-25(16-13-22)42-31(40)41-20-23-8-4-2-5-9-23/h2-13,15-16,26-27H,14,17-20,33H2,1H3,(H,38,39)