2-(2-pyridin-4-ylsulfanylethanoylamino)hexanoic acid

Systemtic Name: 2-(2-pyridin-4-ylsulfanylethanoylamino)hexanoic acid Openeye Name: 2-[[2-(4-pyridylsulfanyl)acetyl]amino]hexanoic acid CAS Name: 2-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]hexanoic acid IUPAC Name: 2-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoic acid Traditional Name: 2-[[2-(4-pyridylthio)acetyl]amino]hexanoic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CSC1=CC=NC=C1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSC1=CC=NC=C1

InChI

InChI=1S/C13H18N2O3S/c1-2-3-4-11(13(17)18)15-12(16)9-19-10-5-7-14-8-6-10/h5-8,11H,2-4,9H2,1H3,(H,15,16)(H,17,18)