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

Systemtic Name: (2S)-3-methyl-2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-(6-oxo-1H-pyridin-3-yl)methyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(6-keto-1H-pyridine-3-carbonyl)amino]-3-methyl-butyrate Formula: C11H13N2O4- MolecularWeight: 237.23192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4/c1-6(2)9(11(16)17)13-10(15)7-3-4-8(14)12-5-7/h3-6,9H,1-2H3,(H,12,14)(H,13,15)(H,16,17)/p-1/t9-/m0/s1