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

Systemtic Name: (2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (2S)-2-(benzyloxycarbonylamino)-4-methylsulfonyl-butanoate CAS Name: (2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-mesyl-butyrate Formula: C13H16NO6S- MolecularWeight: 314.33424

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO6S/c1-21(18,19)8-7-11(12(15)16)14-13(17)20-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17)(H,15,16)/p-1/t11-/m0/s1