(2S)-4-methylsulfonyl-2-(phenoxycarbonylamino)butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-(phenoxycarbonylamino)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-(phenoxycarbonylamino)butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[oxo(phenoxy)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(phenoxycarbonylamino)butanoate Traditional Name: (2S)-2-(carbophenoxyamino)-4-mesyl-butyrate Formula: C12H14NO6S- MolecularWeight: 300.30766

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)OC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C12H15NO6S/c1-20(17,18)8-7-10(11(14)15)13-12(16)19-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)(H,14,15)/p-1/t10-/m0/s1