1-[(4-fluorophenyl)carbamoyl]-2-methyl-5-(3-methylphenyl)-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)carbamoyl]-2-methyl-5-(3-methylphenyl)-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-methylsulfanylbenzoyl)-5-(m-tolyl)-3-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-fluoroanilino)-oxomethyl]-2-methyl-5-(3-methylphenyl)-4-[[4-(methylthio)phenyl]-oxomethyl]-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)carbamoyl]-2-methyl-5-(3-methylphenyl)-4-(4-methylsulfanylbenzoyl)-3-phenylpyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-[4-(methylthio)benzoyl]-5-(m-tolyl)-3-phenyl-proline Formula: C34H31FN2O4S MolecularWeight: 582.684343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)NC3=CC=C(C=C3)F)(C)C(=O)O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)SC

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)NC3=CC=C(C=C3)F)(C)C(=O)O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)SC

InChI

InChI=1S/C34H31FN2O4S/c1-21-8-7-11-24(20-21)30-28(31(38)23-12-18-27(42-3)19-13-23)29(22-9-5-4-6-10-22)34(2,32(39)40)37(30)33(41)36-26-16-14-25(35)15-17-26/h4-20,28-30H,1-3H3,(H,36,41)(H,39,40)