(2S,4S,5R)-2-(2-methylpropyl)-1-pyridin-4-ylcarbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: (2S,4S,5R)-2-(2-methylpropyl)-1-pyridin-4-ylcarbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: (2S,4S,5R)-2-isobutyl-1-(pyridine-4-carbonyl)-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: (2S,4S,5R)-2-(2-methylpropyl)-1-[oxo(pyridin-4-yl)methyl]-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: (2S,4S,5R)-2-(2-methylpropyl)-1-(pyridine-4-carbonyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: (2S,4S,5R)-2-isobutyl-1-isonicotinoyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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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)O)C(=O)O

Isomeric SMILES

CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)C2=CC=NC=C2)C3=CC=CS3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-12(2)10-20(19(26)27)11-14(18(24)25)16(15-4-3-9-28-15)22(20)17(23)13-5-7-21-8-6-13/h3-9,12,14,16H,10-11H2,1-2H3,(H,24,25)(H,26,27)/t14-,16+,20-/m0/s1