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

Systemtic Name: 1-[2-[[4-(4-chlorophenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[2-(benzyloxycarbonylamino)ethylsulfanyl]-2-[[1-carboxy-3-(4-chlorophenyl)propyl]amino]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[4-(4-chlorophenyl)-1-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-4-[2-(phenylmethoxycarbonylamino)ethylthio]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[4-(4-chlorophenyl)-1-hydroxy-1-oxobutan-2-yl]amino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[2-(benzyloxycarbonylamino)ethylthio]-2-[[1-carboxy-3-(4-chlorophenyl)propyl]amino]butanoyl]proline Formula: C29H36ClN3O7S MolecularWeight: 606.13004

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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=C(C=C3)Cl)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H36ClN3O7S/c30-22-11-8-20(9-12-22)10-13-24(27(35)36)32-23(26(34)33-16-4-7-25(33)28(37)38)14-17-41-18-15-31-29(39)40-19-21-5-2-1-3-6-21/h1-3,5-6,8-9,11-12,23-25,32H,4,7,10,13-19H2,(H,31,39)(H,35,36)(H,37,38)