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N-Acetyl-S-(1-cyano-2-hydroxyethyl)-L-cysteine-[d3] Dicyclohexylamine Salt (Mixture of Diastereomers)

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General Information
Catalog: BLP-006333
CAS: 1356017-48-5
Molecular Formula: C12H20D3N.C8H12N2O4S
Molecular Weight: 416.59

Chemical Structure

Synonyms	N-Acetyl-S-(1-cyano-2-hydroxyethyl)-L-cysteine-d3 Dicyclohexylamine Salt (Mixture of Diastereomers); N-(Acetyl-d3)-S-(1-cyano-2-hydroxyethyl)-L-cysteine Dicyclohexylamine Salt; N-Acetyl-S-(2-hydroxy-1-cyanoethyl)cysteine-d3 Dicyclohexylamine Salt
IUPAC Name	(2R)-3-(1-cyano-2-hydroxyethyl)sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid;N-cyclohexylcyclohexanamine
Related CAS	1356930-89-6 (unlabelled) 116477-44-2 (unlabelled free base)
Canonical SMILES	CC(=O)NC(CSC(CO)C#N)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChI	InChI=1S/C12H23N.C8H12N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(12)10-7(8(13)14)4-15-6(2-9)3-11/h11-13H,1-10H2;6-7,11H,3-4H2,1H3,(H,10,12)(H,13,14)/t;6?,7-/m.0/s1/i;1D3
InChI Key	AEWZVNHASHNRAX-IJTRFPNGSA-N
Melting Point	>150°C (dec.)
Purity	95%; ≥98% atom D
Solubility	Slightly soluble in Methanol, Water
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere