3-(6-azanylpyridin-3-yl)-4-methyl-2-(sulfanylmethyl)pentanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-4-methyl-2-(sulfanylmethyl)pentanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-4-methyl-2-(sulfanylmethyl)pentanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-(mercaptomethyl)-4-methylpentanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-4-methyl-2-(sulfanylmethyl)pentanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-(mercaptomethyl)-4-methyl-valeric acid Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2S/c1-7(2)11(9(6-17)12(15)16)8-3-4-10(13)14-5-8/h3-5,7,9,11,17H,6H2,1-2H3,(H2,13,14)(H,15,16)