116384-56-6 Purity
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Specification
The molecular formula is C15H21NO5.
The molecular weight is 295.33 g/mol.
The IUPAC name is (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid.
The InChI is InChI=1S/C15H21NO5/c1-15(2,3)21-14(20)16-11(12(17)13(18)19)9-10-7-5-4-6-8-10/h4-8,11-12,17H,9H2,1-3H3,(H,16,20)(H,18,19)/t11-,12-/m0/s1.
There are 3 hydrogen bond donor counts.
The XLogP3-AA value is 1.9.
The topological polar surface area is 95.9 Å2.
There are 21 heavy atoms.
Yes, the compound is canonicalized.
There are 2 defined atom stereocenter counts.
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