3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-2-methyl-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-2-methyl-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-2-methyl-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-2-methyl-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-2-methyl-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C34H33FN2O4S MolecularWeight: 584.700223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

InChI

InChI=1S/C34H33FN2O4S/c1-33(2,3)23-16-12-21(13-17-23)28-27(30(38)26-11-8-20-42-26)29(22-14-18-24(35)19-15-22)37(34(28,4)31(39)40)32(41)36-25-9-6-5-7-10-25/h5-20,27-29H,1-4H3,(H,36,41)(H,39,40)