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N-Acetyl-S-(2-hydroxyethyl-[d4])-L-cysteine Dicyclohexylamine Salt

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General Information
Catalog: BLP-009922
CAS: 1331894-57-5
Molecular Formula: C19H32D4N2O4S
Molecular Weight: 392.59

Chemical Structure

Synonyms	L-S-(2-Hydroxyethyl-d4)mercapturic Acid
IUPAC Name	(2R)-2-acetamido-3-(1,1,2,2-tetradeuterio-2-hydroxyethyl)sulfanylpropanoic acid;N-cyclohexylcyclohexanamine
Related CAS	1331896-18-4 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)O)NC(=O)C)O.C1CCC(CC1)NC2CCCCC2
Canonical SMILES	CC(=O)NC(CSCCO)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChI	InChI=1S/C12H23N.C7H13NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(10)8-6(7(11)12)4-13-3-2-9/h11-13H,1-10H2;6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t;6-/m.0/s1/i;2D2,3D2
InChI Key	XLGHARKAPCCVFZ-XAEDZKCESA-N
Purity	95% by HPLC; 98% atom D