4-methoxycarbonyl-2-(2-methylpropyl)-1-pyridin-4-ylcarbonyl-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxycarbonyl-2-(2-methylpropyl)-1-pyridin-4-ylcarbonyl-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 2-isobutyl-4-methoxycarbonyl-1-(pyridine-4-carbonyl)-5-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-methoxycarbonyl-2-(2-methylpropyl)-1-[oxo(pyridin-4-yl)methyl]-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxycarbonyl-2-(2-methylpropyl)-1-(pyridine-4-carbonyl)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-2-isobutyl-1-isonicotinoyl-5-(2-thienyl)proline Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC=NC=C2)C3=CC=CS3)C(=O)OC)C(=O)O

Isomeric SMILES

CC(C)CC1(CC(C(N1C(=O)C2=CC=NC=C2)C3=CC=CS3)C(=O)OC)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-13(2)11-21(20(26)27)12-15(19(25)28-3)17(16-5-4-10-29-16)23(21)18(24)14-6-8-22-9-7-14/h4-10,13,15,17H,11-12H2,1-3H3,(H,26,27)