3-(6-azanylpyridin-3-yl)-2-(sulfanylmethyl)hexanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-(sulfanylmethyl)hexanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-(sulfanylmethyl)hexanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-(mercaptomethyl)hexanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-(sulfanylmethyl)hexanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-(mercaptomethyl)hexanoic acid Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN=C(C=C1)N)C(CS)C(=O)O

Isomeric SMILES

CCCC(C1=CN=C(C=C1)N)C(CS)C(=O)O

InChI

InChI=1S/C12H18N2O2S/c1-2-3-9(10(7-17)12(15)16)8-4-5-11(13)14-6-8/h4-6,9-10,17H,2-3,7H2,1H3,(H2,13,14)(H,15,16)