(2S)-4-methylsulfonyl-2-[(2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-[(2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[oxo-(2-oxo-1,3-dihydroimidazol-4-yl)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(2-keto-4-imidazoline-4-carbonyl)amino]-4-mesyl-butyrate Formula: C9H12N3O6S- MolecularWeight: 290.27308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O6S/c1-19(17,18)3-2-5(8(14)15)11-7(13)6-4-10-9(16)12-6/h4-5H,2-3H2,1H3,(H,11,13)(H,14,15)(H2,10,12,16)/p-1/t5-/m0/s1