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

Systemtic Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-methylsulfanylbenzoyl)-3-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-[(4-fluoroanilino)-oxomethyl]-2-methyl-4-[[4-(methylthio)phenyl]-oxomethyl]-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-methylsulfanylbenzoyl)-3-phenylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-[4-(methylthio)benzoyl]-3-phenyl-proline Formula: C34H28FN3O4S MolecularWeight: 593.667223

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=C(C=C2)F)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)F)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/C34H28FN3O4S/c1-34(32(40)41)29(22-6-4-3-5-7-22)28(31(39)24-12-18-27(43-2)19-13-24)30(23-10-8-21(20-36)9-11-23)38(34)33(42)37-26-16-14-25(35)15-17-26/h3-19,28-30H,1-2H3,(H,37,42)(H,40,41)