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

Systemtic Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C33H31FN2O4S MolecularWeight: 570.673643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H31FN2O4S/c1-33(2,3)22-15-11-20(12-16-22)26-27(30(37)25-10-7-19-41-25)28(21-13-17-23(34)18-14-21)36(29(26)31(38)39)32(40)35-24-8-5-4-6-9-24/h4-19,26-29H,1-3H3,(H,35,40)(H,38,39)