6-[[(2S)-3-cyclopentyl-2-(4-propan-2-ylsulfonylimidazol-1-yl)propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[(2S)-3-cyclopentyl-2-(4-propan-2-ylsulfonylimidazol-1-yl)propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[(2S)-3-cyclopentyl-2-(4-isopropylsulfonylimidazol-1-yl)propanoyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[(2S)-3-cyclopentyl-1-oxo-2-(4-propan-2-ylsulfonyl-1-imidazolyl)propyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[(2S)-3-cyclopentyl-2-(4-propan-2-ylsulfonylimidazol-1-yl)propanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[(2S)-3-cyclopentyl-2-(4-isopropylsulfonylimidazol-1-yl)propanoyl]amino]nicotinic acid Formula: C20H26N4O5S MolecularWeight: 434.50924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CN(C=N1)C(CC2CCCC2)C(=O)NC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN(C=N1)[C@@H](CC2CCCC2)C(=O)NC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H26N4O5S/c1-13(2)30(28,29)18-11-24(12-22-18)16(9-14-5-3-4-6-14)19(25)23-17-8-7-15(10-21-17)20(26)27/h7-8,10-14,16H,3-6,9H2,1-2H3,(H,26,27)(H,21,23,25)/t16-/m0/s1