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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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