2-benzamido-2-[4-(pyridin-3-ylamino)-5H-1,3-thiazol-4-yl]pentanoic acid

Systemtic Name: 2-benzamido-2-[4-(pyridin-3-ylamino)-5H-1,3-thiazol-4-yl]pentanoic acid Openeye Name: 2-benzamido-2-[4-(3-pyridylamino)-5H-thiazol-4-yl]pentanoic acid CAS Name: 2-benzamido-2-[4-(3-pyridinylamino)-5H-thiazol-4-yl]pentanoic acid IUPAC Name: 2-benzamido-2-[4-(pyridin-3-ylamino)-5H-1,3-thiazol-4-yl]pentanoic acid Traditional Name: 2-benzamido-2-[4-(3-pyridylamino)-2-thiazolin-4-yl]valeric acid Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)(C1(CSC=N1)NC2=CN=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)O)(C1(CSC=N1)NC2=CN=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-2-10-19(18(26)27,24-17(25)15-7-4-3-5-8-15)20(13-28-14-22-20)23-16-9-6-11-21-12-16/h3-9,11-12,14,23H,2,10,13H2,1H3,(H,24,25)(H,26,27)