4-(3-chlorophenyl)carbonyl-1-(phenylcarbamoyl)-5-pyridin-3-yl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-(phenylcarbamoyl)-5-pyridin-3-yl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(phenylcarbamoyl)-5-(3-pyridyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-4-[(3-chlorophenyl)-oxomethyl]-5-(3-pyridinyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(phenylcarbamoyl)-5-pyridin-3-yl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(phenylcarbamoyl)-5-(3-pyridyl)-3-(2-thienyl)proline Formula: C28H22ClN3O4S MolecularWeight: 532.00998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C28H22ClN3O4S/c29-19-9-4-7-17(15-19)26(33)23-22(21-12-6-14-37-21)25(27(34)35)32(24(23)18-8-5-13-30-16-18)28(36)31-20-10-2-1-3-11-20/h1-16,22-25H,(H,31,36)(H,34,35)