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The molecular formula is C13H18N2O6S.
The molecular weight is 330.36 g/mol.
The IUPAC name is [4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] methanesulfonate.
The InChI is 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).
The InChIKey is FKFRPOGPNHJBGP-UHFFFAOYSA-N.
The compound has 2 hydrogen bond donor counts.
The compound has 6 hydrogen bond acceptor counts.
The heavy atom count is 22.
Yes, the compound is canonicalized.
The topological polar surface area is 133 Ų.
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