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

Systemtic Name: 5-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylsulfanylbenzoyl)-1-(m-tolylcarbamoyl)-3-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-2-methyl-1-[(3-methylanilino)-oxomethyl]-4-[[4-(methylthio)phenyl]-oxomethyl]-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-4-(4-methylsulfanylbenzoyl)-3-phenylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-2-methyl-4-[4-(methylthio)benzoyl]-1-(m-tolylcarbamoyl)-3-phenyl-proline Formula: C35H31N3O4S MolecularWeight: 589.70334

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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=C(C=C5)C#N

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=C(C=C5)C#N

InChI

InChI=1S/C35H31N3O4S/c1-22-8-7-11-27(20-22)37-34(42)38-31(25-14-12-23(21-36)13-15-25)29(32(39)26-16-18-28(43-3)19-17-26)30(35(38,2)33(40)41)24-9-5-4-6-10-24/h4-20,29-31H,1-3H3,(H,37,42)(H,40,41)