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

Systemtic Name: 5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-4-(4-methylsulfanylbenzoyl)-3-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-[(4-methoxyanilino)-oxomethyl]-2-methyl-4-[[4-(methylthio)phenyl]-oxomethyl]-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-4-(4-methylsulfanylbenzoyl)-3-phenylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-4-[4-(methylthio)benzoyl]-3-phenyl-proline Formula: C35H31N3O5S MolecularWeight: 605.70274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)SC)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)SC)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C35H31N3O5S/c1-35(33(40)41)30(23-7-5-4-6-8-23)29(32(39)25-13-19-28(44-3)20-14-25)31(24-11-9-22(21-36)10-12-24)38(35)34(42)37-26-15-17-27(43-2)18-16-26/h4-20,29-31H,1-3H3,(H,37,42)(H,40,41)