5-(4-fluorophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-fluorophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-fluorophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-(2-methylbenzoyl)-3-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-fluoroanilino)-oxomethyl]-5-(4-fluorophenyl)-4-[(2-methylphenyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-fluorophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-(2-methylbenzoyl)-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(4-fluorophenyl)-1-[(4-fluorophenyl)carbamoyl]-3-(3-methyl-2-thienyl)-4-o-toluoyl-proline Formula: C31H26F2N2O4S MolecularWeight: 560.610946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2C(=O)O)C(=O)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2C(=O)O)C(=O)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)C5=CC=CC=C5C

InChI

InChI=1S/C31H26F2N2O4S/c1-17-5-3-4-6-23(17)28(36)24-25(29-18(2)15-16-40-29)27(30(37)38)35(26(24)19-7-9-20(32)10-8-19)31(39)34-22-13-11-21(33)12-14-22/h3-16,24-27H,1-2H3,(H,34,39)(H,37,38)