6-(2-pyridin-4-ylsulfanylethanoylamino)hexanoic acid

Systemtic Name: 6-(2-pyridin-4-ylsulfanylethanoylamino)hexanoic acid Openeye Name: 6-[[2-(4-pyridylsulfanyl)acetyl]amino]hexanoic acid CAS Name: 6-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]hexanoic acid IUPAC Name: 6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoic acid Traditional Name: 6-[[2-(4-pyridylthio)acetyl]amino]hexanoic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1SCC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CN=CC=C1SCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H18N2O3S/c16-12(10-19-11-5-8-14-9-6-11)15-7-3-1-2-4-13(17)18/h5-6,8-9H,1-4,7,10H2,(H,15,16)(H,17,18)