3-(6-azanylpyridin-3-yl)-2-(ethanoylsulfanylmethyl)butanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-(ethanoylsulfanylmethyl)butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(6-amino-3-pyridyl)butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(6-amino-3-pyridinyl)butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(6-aminopyridin-3-yl)butanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(6-amino-3-pyridyl)butyric acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-7(9-3-4-11(13)14-5-9)10(12(16)17)6-18-8(2)15/h3-5,7,10H,6H2,1-2H3,(H2,13,14)(H,16,17)