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

Systemtic Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylsulfanylbenzoyl)-3-phenyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-5-(4-cyanophenyl)-2-methyl-4-[[4-(methylthio)phenyl]-oxomethyl]-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylsulfanylbenzoyl)-3-phenyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-2-methyl-4-[4-(methylthio)benzoyl]-3-phenyl-1-(phenylcarbamoyl)proline Formula: C34H29N3O4S MolecularWeight: 575.67676

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)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=CC=C2)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/C34H29N3O4S/c1-34(32(39)40)29(23-9-5-3-6-10-23)28(31(38)25-17-19-27(42-2)20-18-25)30(24-15-13-22(21-35)14-16-24)37(34)33(41)36-26-11-7-4-8-12-26/h3-20,28-30H,1-2H3,(H,36,41)(H,39,40)