[(2S,3R)-3-aminocarbonyloxy-4-azanyl-4-oxidanylidene-3-(phenylmethyl)butan-2-yl] methanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)(C(=O)N)OC(=O)N)OS(=O)(=O)C

Isomeric SMILES

C[C@@H]([C@](CC1=CC=CC=C1)(C(=O)N)OC(=O)N)OS(=O)(=O)C

InChI

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