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

Systemtic Name: (2S)-4-methylsulfonyl-2-[(2-oxidanidyl-6-oxidanylidene-1H-pyridin-4-yl)carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[(2-oxido-6-oxo-1H-pyridine-4-carbonyl)amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[(2-oxido-6-oxo-1H-pyridin-4-yl)-oxomethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[(2-oxido-6-oxo-1H-pyridine-4-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(2-keto-6-oxido-1H-pyridine-4-carbonyl)amino]-4-mesyl-butyrate Formula: C11H12N2O7S-2 MolecularWeight: 316.28718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O7S/c1-21(19,20)3-2-7(11(17)18)12-10(16)6-4-8(14)13-9(15)5-6/h4-5,7H,2-3H2,1H3,(H,12,16)(H,17,18)(H2,13,14,15)/p-2/t7-/m0/s1