[(2S,3S)-4-azanyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butan-2-yl] methanesulfonate

Systemtic Name: [(2S,3S)-4-azanyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butan-2-yl] methanesulfonate Openeye Name: [(1S,2S)-3-amino-2-(benzyloxycarbonylamino)-1-methyl-3-oxo-propyl] methanesulfonate CAS Name: methanesulfonic acid [(2S,3S)-4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] ester IUPAC Name: [(2S,3S)-4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-3-amino-2-(benzyloxycarbonylamino)-3-keto-1-methyl-propyl] ester Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N)NC(=O)OCC1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

C[C@@H]([C@@H](C(=O)N)NC(=O)OCC1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C13H18N2O6S/c1-9(21-22(2,18)19)11(12(14)16)15-13(17)20-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,14,16)(H,15,17)/t9-,11-/m0/s1