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

Systemtic Name: (2S)-4-methylsulfonyl-2-[(2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[(2-oxido-4-oxo-1H-pyrimidine-6-carbonyl)amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[(2-oxido-4-oxo-1H-pyrimidin-6-yl)-oxomethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[(2-oxido-4-oxo-1H-pyrimidine-6-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(4-keto-2-oxido-1H-pyrimidine-6-carbonyl)amino]-4-mesyl-butyrate Formula: C10H11N3O7S-2 MolecularWeight: 317.27524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CC(=O)N=C(N1)[O-]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CC(=O)N=C(N1)[O-]

InChI

InChI=1S/C10H13N3O7S/c1-21(19,20)3-2-5(9(16)17)11-8(15)6-4-7(14)13-10(18)12-6/h4-5H,2-3H2,1H3,(H,11,15)(H,16,17)(H2,12,13,14,18)/p-2/t5-/m0/s1