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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-[(3-methylphenyl)carbamoyl]-5-pyridin-3-yl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(m-tolylcarbamoyl)-5-(3-pyridyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[(3-methylanilino)-oxomethyl]-5-(3-pyridinyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-[(3-methylphenyl)carbamoyl]-5-pyridin-3-yl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(m-tolylcarbamoyl)-5-(3-pyridyl)-3-(2-thienyl)proline Formula: C29H24ClN3O4S MolecularWeight: 546.03656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=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

CC1=CC(=CC=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/C29H24ClN3O4S/c1-17-6-2-10-21(14-17)32-29(37)33-25(19-8-4-12-31-16-19)24(27(34)18-7-3-9-20(30)15-18)23(26(33)28(35)36)22-11-5-13-38-22/h2-16,23-26H,1H3,(H,32,37)(H,35,36)