4-(3-chlorophenyl)carbonyl-1-[(4-fluorophenyl)carbamoyl]-5-pyridin-3-yl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-[(4-fluorophenyl)carbamoyl]-5-pyridin-3-yl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-[(4-fluorophenyl)carbamoyl]-5-(3-pyridyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[(4-fluoroanilino)-oxomethyl]-5-(3-pyridinyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-[(4-fluorophenyl)carbamoyl]-5-pyridin-3-yl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-[(4-fluorophenyl)carbamoyl]-5-(3-pyridyl)-3-(2-thienyl)proline Formula: C28H21ClFN3O4S MolecularWeight: 550.000443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)C2C(C(N(C2C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)F)C(=O)O)C5=CC=CS5

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)C2C(C(N(C2C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)F)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C28H21ClFN3O4S/c29-18-6-1-4-16(14-18)26(34)23-22(21-7-3-13-38-21)25(27(35)36)33(24(23)17-5-2-12-31-15-17)28(37)32-20-10-8-19(30)9-11-20/h1-15,22-25H,(H,32,37)(H,35,36)