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L-Phenyl-[d5]-alanine-[2,3,3-d3]-N-t-BOC

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General Information
Catalog: BLP-009930
CAS: 106881-07-6
Molecular Formula: C14H11D8NO4
Molecular Weight: 273.36

Chemical Structure

Description	L-Phenyl-[d5]-alanine-[2,3,3-d3]-N-t-BOC is a labelled L-Phenylalanine-N-t-BOC. Phenylalanine is an α-amino acid essential for humans that is found in breast milk of mammals. It is commonly used as a dietary supplement.
Synonyms	N-(tert-Butoxycarbonyl)-L-phenyl-d5-alanine-2,3,3-d3; L-Phenyl-d5-alanine-2,3,3-d3, N-t-Boc-; BOC-L-Phenylalanine-d5; BOC-L-Phe-OH-d5; Boc-Phe-OH-phenyl-d5-2,3,3-d3
IUPAC Name	(2S)-2,3,3-trideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Related CAS	13734-34-4 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[C@@]([2H])(C(=O)O)NC(=O)OC(C)(C)C)[2H])[2H]
Canonical SMILES	CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O
InChI	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)/t11-/m0/s1/i4D,5D,6D,7D,8D,9D2,11D
InChI Key	ZYJPUMXJBDHSIF-ZAYSQZROSA-N
Melting Point	85-87°C (lit.)
Purity	95% by HPLC; 98% atom D