(2S)-2-[(6-methylpyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(6-methylpyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(6-methylpyridine-3-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(6-methyl-3-pyridinyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(6-methylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(6-methylnicotinoyl)amino]-4-(methylthio)butyrate Formula: C12H15N2O3S- MolecularWeight: 267.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-8-3-4-9(7-13-8)11(15)14-10(12(16)17)5-6-18-2/h3-4,7,10H,5-6H2,1-2H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1