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Phenylacetylglutamine-[d5]

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General Information
Catalog: BLP-009962
CAS: 1331909-01-3
Molecular Formula: C13H11D5N2O4
Molecular Weight: 269.31

Chemical Structure

Description	Phenylacetylglutamine-[d5] is a labelled Phenylacetylglutamine. Phenylacetylglutamine is an amino acid acetylation product of phenylacetate. It is a component of human urine that accumulates in patients with uremia.
Synonyms	N-2-Phenylacetyl-d5-L-glutamine; Phenylac-L-Gln-OH-d5; Phenylacetyl-d5 L-Glutamine; N-Phenyl-d5-acetylglutamine; Phenyl-d5-acetyl-L-glutamine; Nα-(Phenyl-d5-acetyl)-L-glutamine
IUPAC Name	(2S)-5-amino-5-oxo-2-[[2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]pentanoic acid
Related CAS	28047-15-6 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[2H])[2H]
Canonical SMILES	C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O
InChI	InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1/i1D,2D,3D,4D,5D
InChI Key	JFLIEFSWGNOPJJ-CJMNRESHSA-N
Purity	95% by HPLC; 98% atom D