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N-Acetyl-S-allyl-L-cysteine-[d3]

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General Information
Catalog: BLP-004829
CAS: 1331907-55-1
Molecular Formula: C8H10D3NO3S
Molecular Weight: 206.28

Chemical Structure

Synonyms	N-(Acetyl-d3)-S-allyl-L-cysteine; N-(Acetyl-d3)-S-2-propen-1-yl-L-cysteine; L-N-(Acetyl-d3)-3-(allylthio)alanine; Allylmercapturic Acid-d3; S-Allylmercapturic Acid-d3
IUPAC Name	(2R)-3-prop-2-enylsulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
Related CAS	23127-41-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(=O)N[C@@H](CSCC=C)C(=O)O
Canonical SMILES	CC(=O)NC(CSCC=C)C(=O)O
InChI	InChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m0/s1/i2D3
InChI Key	LKRAEHUDIUJBSF-HMQROFFESA-N
Melting Point	121-122°C
Purity	98%; ≥98% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C