2-methyl-5-(4-methylphenyl)-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 2-methyl-5-(4-methylphenyl)-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Openeye Name: 2-methyl-4-(4-methylsulfanylbenzoyl)-3-phenyl-1-(phenylcarbamoyl)-5-(p-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-2-methyl-5-(4-methylphenyl)-4-[[4-(methylthio)phenyl]-oxomethyl]-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-methyl-5-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)-3-phenyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Traditional Name: 2-methyl-4-[4-(methylthio)benzoyl]-3-phenyl-1-(phenylcarbamoyl)-5-(p-tolyl)proline Formula: C34H32N2O4S MolecularWeight: 564.69388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H32N2O4S/c1-22-14-16-24(17-15-22)30-28(31(37)25-18-20-27(41-3)21-19-25)29(23-10-6-4-7-11-23)34(2,32(38)39)36(30)33(40)35-26-12-8-5-9-13-26/h4-21,28-30H,1-3H3,(H,35,40)(H,38,39)