4-aminocarbonyl-2-(1H-imidazol-5-ylmethyl)-5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]carbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-aminocarbonyl-2-(1H-imidazol-5-ylmethyl)-5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-carbamoyl-2-(1H-imidazol-5-ylmethyl)-5-(2-thienyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-carbamoyl-2-(1H-imidazol-5-ylmethyl)-1-[oxo-[3-(trifluoromethyl)phenyl]methyl]-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-carbamoyl-2-(1H-imidazol-5-ylmethyl)-5-thiophen-2-yl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-carbamoyl-2-(1H-imidazol-5-ylmethyl)-5-(2-thienyl)-1-[3-(trifluoromethyl)benzoyl]proline Formula: C22H19F3N4O4S MolecularWeight: 492.47087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1(CC2=CN=CN2)C(=O)O)C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CS4)C(=O)N

Isomeric SMILES

C1C(C(N(C1(CC2=CN=CN2)C(=O)O)C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CS4)C(=O)N

InChI

InChI=1S/C22H19F3N4O4S/c23-22(24,25)13-4-1-3-12(7-13)19(31)29-17(16-5-2-6-34-16)15(18(26)30)9-21(29,20(32)33)8-14-10-27-11-28-14/h1-7,10-11,15,17H,8-9H2,(H2,26,30)(H,27,28)(H,32,33)