7-(2-pyridin-4-ylsulfanylethanoylamino)heptanoic acid

Systemtic Name: 7-(2-pyridin-4-ylsulfanylethanoylamino)heptanoic acid Openeye Name: 7-[[2-(4-pyridylsulfanyl)acetyl]amino]heptanoic acid CAS Name: 7-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]heptanoic acid IUPAC Name: 7-[(2-pyridin-4-ylsulfanylacetyl)amino]heptanoic acid Traditional Name: 7-[[2-(4-pyridylthio)acetyl]amino]enanthic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c17-13(11-20-12-6-9-15-10-7-12)16-8-4-2-1-3-5-14(18)19/h6-7,9-10H,1-5,8,11H2,(H,16,17)(H,18,19)