(2S)-4-methylsulfonyl-2-(1,2-oxazol-5-ylcarbonylamino)butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-(1,2-oxazol-5-ylcarbonylamino)butanoate Openeye Name: (2S)-2-(isoxazole-5-carbonylamino)-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[5-isoxazolyl(oxo)methyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(1,2-oxazole-5-carbonylamino)butanoate Traditional Name: (2S)-2-(isoxazole-5-carbonylamino)-4-mesyl-butyrate Formula: C9H11N2O6S- MolecularWeight: 275.25844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CC=NO1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CC=NO1

InChI

InChI=1S/C9H12N2O6S/c1-18(15,16)5-3-6(9(13)14)11-8(12)7-2-4-10-17-7/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14)/p-1/t6-/m0/s1