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N-Acetyl-S-Benzyl-L-Cysteine-[d3]

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General Information
Catalog: BLP-011970
CAS: 201404-15-1
Molecular Formula: C12H12D3NO3S
Molecular Weight: 256.34

Chemical Structure

Synonyms	N-(Acetyl-d3)-S-benzyl-L-cysteine; S-Benzyl-N-(2H3)ethanoyl-L-cysteine
IUPAC Name	(2R)-3-benzylsulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
Related CAS	19542-77-9 (unlabelled)
Canonical SMILES	CC(=O)NC(CSCC1=CC=CC=C1)C(=O)O
InChI	InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1/i1D3
InChI Key	BJUXDERNWYKSIQ-DCLJDFQTSA-N
Boiling Point	506.2±50.0 °C at 760 mmHg
Melting Point	140-142°C
Purity	95% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Application	A labelled metabolite of Toluene.
Storage	Store at -20°C