3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-[(3-methylphenyl)carbamoyl]-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F

InChI

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