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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-(sulfanylmethyl)pentanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-(sulfanylmethyl)pentanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-(mercaptomethyl)pentanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-(sulfanylmethyl)pentanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-(mercaptomethyl)valeric acid Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O2S/c1-2-8(9(6-16)11(14)15)7-3-4-10(12)13-5-7/h3-5,8-9,16H,2,6H2,1H3,(H2,12,13)(H,14,15)