1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[2-(benzyloxycarbonylamino)ethylsulfanyl]-2-[(1-carboxy-3-phenyl-propyl)amino]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxo-4-[2-(phenylmethoxycarbonylamino)ethylthio]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[2-(benzyloxycarbonylamino)ethylthio]-2-[(1-carboxy-3-phenyl-propyl)amino]butanoyl]proline Formula: C29H37N3O7S MolecularWeight: 571.68498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCSCCNC(=O)OCC2=CC=CC=C2)NC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCSCCNC(=O)OCC2=CC=CC=C2)NC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C29H37N3O7S/c33-26(32-17-7-12-25(32)28(36)37)23(31-24(27(34)35)14-13-21-8-3-1-4-9-21)15-18-40-19-16-30-29(38)39-20-22-10-5-2-6-11-22/h1-6,8-11,23-25,31H,7,12-20H2,(H,30,38)(H,34,35)(H,36,37)