methanesulfonic acid; (phenylmethyl) N-(1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl)carbamate

Systemtic Name: methanesulfonic acid; (phenylmethyl) N-(1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl)carbamate Openeye Name: benzyl N-(1-carbamoyl-2-hydroxy-propyl)carbamate; methanesulfonic acid CAS Name: N-(1-amino-3-hydroxy-1-oxobutan-2-yl)carbamic acid (phenylmethyl) ester; methanesulfonic acid IUPAC Name: benzyl N-(1-amino-3-hydroxy-1-oxobutan-2-yl)carbamate; methanesulfonic acid Traditional Name: N-(1-carbamoyl-2-hydroxy-propyl)carbamic acid benzyl ester; mesylic acid Formula: C13H20N2O7S MolecularWeight: 348.3721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N)NC(=O)OCC1=CC=CC=C1)O.CS(=O)(=O)O

Isomeric SMILES

CC(C(C(=O)N)NC(=O)OCC1=CC=CC=C1)O.CS(=O)(=O)O

InChI

InChI=1S/C12H16N2O4.CH4O3S/c1-8(15)10(11(13)16)14-12(17)18-7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17);1H3,(H,2,3,4)