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Specification
The molecular formula is C14H19NO4.
The molecular weight is 265.30 g/mol.
The IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid.
The InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17).
The InChIKey is ZYJPUMXJBDHSIF-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.
The CAS number is 13734-34-4.
The EC number is 834-373-3.
The XLogP3 value is 2.2.
Yes, Boc-dl-phe-oh is a canonicalized compound.