(2S)-4-methylsulfonyl-2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[oxo-(6-oxo-1H-pyridin-3-yl)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(6-keto-1H-pyridine-3-carbonyl)amino]-4-mesyl-butyrate Formula: C11H13N2O6S- MolecularWeight: 301.29572

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CNC(=O)C=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CNC(=O)C=C1

InChI

InChI=1S/C11H14N2O6S/c1-20(18,19)5-4-8(11(16)17)13-10(15)7-2-3-9(14)12-6-7/h2-3,6,8H,4-5H2,1H3,(H,12,14)(H,13,15)(H,16,17)/p-1/t8-/m0/s1