4-acetyloxycarbonyl-3-[[3-(carboxymethylsulfanyl)phenyl]carbamoylamino]-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-acetyloxycarbonyl-3-[[3-(carboxymethylsulfanyl)phenyl]carbamoylamino]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-acetoxycarbonyl-3-[[3-(carboxymethylsulfanyl)phenyl]carbamoylamino]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 4-[acetyloxy(oxo)methyl]-3-[[[3-(carboxymethylthio)anilino]-oxomethyl]amino]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-acetyloxycarbonyl-3-[[3-(carboxymethylsulfanyl)phenyl]carbamoylamino]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 4-acetoxycarbonyl-3-[[3-(carboxymethylthio)phenyl]carbamoylamino]-5-phenyl-proline Formula: C23H23N3O8S MolecularWeight: 501.50902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C1C(C(NC1C2=CC=CC=C2)C(=O)O)NC(=O)NC3=CC(=CC=C3)SCC(=O)O

Isomeric SMILES

CC(=O)OC(=O)C1C(C(NC1C2=CC=CC=C2)C(=O)O)NC(=O)NC3=CC(=CC=C3)SCC(=O)O

InChI

InChI=1S/C23H23N3O8S/c1-12(27)34-22(32)17-18(13-6-3-2-4-7-13)25-20(21(30)31)19(17)26-23(33)24-14-8-5-9-15(10-14)35-11-16(28)29/h2-10,17-20,25H,11H2,1H3,(H,28,29)(H,30,31)(H2,24,26,33)