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

Systemtic Name: 2-methyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-methyl-4-(4-methylsulfanylbenzoyl)-5-(m-tolyl)-1-(m-tolylcarbamoyl)-3-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 2-methyl-1-[(3-methylanilino)-oxomethyl]-5-(3-methylphenyl)-4-[[4-(methylthio)phenyl]-oxomethyl]-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-methyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-4-(4-methylsulfanylbenzoyl)-3-phenylpyrrolidine-2-carboxylic acid Traditional Name: 2-methyl-4-[4-(methylthio)benzoyl]-5-(m-tolyl)-1-(m-tolylcarbamoyl)-3-phenyl-proline Formula: C35H34N2O4S MolecularWeight: 578.72046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)SC)C5=CC(=CC=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)SC)C5=CC(=CC=C5)C

InChI

InChI=1S/C35H34N2O4S/c1-22-10-8-14-26(20-22)31-29(32(38)25-16-18-28(42-4)19-17-25)30(24-12-6-5-7-13-24)35(3,33(39)40)37(31)34(41)36-27-15-9-11-23(2)21-27/h5-21,29-31H,1-4H3,(H,36,41)(H,39,40)