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N-Acetyl-S-(carbamoylethyl)-L-cysteine-[d4]

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General Information
Catalog: BLP-013980
CAS: 2714331-84-5
Molecular Formula: C8H10D4N2O4S
Molecular Weight: 238.29

Chemical Structure

Description	N-Acetyl-S-(carbamoylethyl)-L-cysteine-[d4] is the labelled analogue of N-Acetyl-S-(carbamoylethyl)-L-cysteine, which is a metabolite of Acrylamide (AA).
Synonyms	N-Acetyl-S-(carbamoylethyl)-L-cysteine-d4; N-Acetyl-S-(2-carbamoylethyl-d4)-L-cysteine; N-Acetyl-S-(3-amino-3-oxopropyl)-L-cysteine-d4; AAMA-d4
IUPAC Name	(2R)-2-acetamido-3-(3-amino-1,1,2,2-tetradeuterio-3-oxopropyl)sulfanylpropanoic acid
Related CAS	81690-92-8 (unlabelled)
Canonical SMILES	CC(=O)NC(CSCCC(=O)N)C(=O)O
InChI	InChI=1S/C8H14N2O4S/c1-5(11)10-6(8(13)14)4-15-3-2-7(9)12/h6H,2-4H2,1H3,(H2,9,12)(H,10,11)(H,13,14)/t6-/m0/s1/i2D2,3D2
InChI Key	GGBCHNJZQQEQRX-ILLLFLQQSA-N
Melting Point	113-115°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at 2-8°C under inert atmosphere