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N-Acetyl-S-(propyl-[d7])-L-cysteine

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General Information
Catalog: BLP-009921
CAS: 1331909-69-3
Molecular Formula: C8H8D7NO3S
Molecular Weight: 212.31

Chemical Structure

Description	N-Acetyl-S-(propyl-[d7])-L-cysteine is a labelled N-Acetyl-S-propyl-L-cysteine, which is a biomarker of 1-bromopropane exposure.
Synonyms	L-S-Propylmercaputuric Acid-d7; N-Acetyl-S-(n-propyl-d7)-L-cysteine
IUPAC Name	(2R)-2-acetamido-3-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)propanoic acid
Related CAS	14402-54-1 (unlabelled)
Canonical SMILES	CCCSCC(C(=O)O)NC(=O)C
InChI	InChI=1S/C8H15NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m0/s1/i1D3,3D2,4D2
InChI Key	PSOKBYBSKZWNMI-DPYIPTSLSA-N
Purity	95% by HPLC; 98% atom D