N-Acetyl-S-(1-cyano-2-hydroxyethyl)-L-cysteine-d3 Dicyclohexylamine Salt (Mixture of Diastereomers)
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- structure.search.product.name N-Acetyl-S-(1-cyano-2-hydroxyethyl)-L-cysteine-d3 Dicyclohexylamine Salt (Mixture of Diastereomers)
- Product Code: TRC-A172082
- CAS Number: 1356017-48-5
- Brand: TRC
Product Overview
Product Code
TRC-A172082
CAS Number
Product Format
Neat
Molecular Formula
C20H32D3N3O4S
Molecular Weight
416.59
Product Categories
TRC, Modified amino acids, Stable isotopes, Stable Isotope Labelled Analytical Standards, Amino acids & derivatives
Alternate CAS Number
Unlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
N-Acetyl-S-(1-cyano-2-hydroxyethyl)-L-cysteine-d3 Dicyclohexylamine Salt (Mixture of Diastereomers)
CAS Number
1356017-48-5
Molecular Formula
C20H32D3N3O4S
Molecular Weight
416.59
Accurate Mass
416.2537
SMILES
OCC(C#N)SC[C@H](NC(C([2H])([2H])[2H])=O)C(O)=O.C1(CCCCC1)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
IUPAC
(2R)-3-(1-cyano-2-hydroxyethyl)sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid;N-cyclohexylcyclohexanamine
Alternate CAS Number
116477-44-2
Unlabelled CAS Number
1356930-89-6
SIL Type
Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Stable Isotope Labelled; Bioactive Small Molecule
Product Format
Neat
Product Description
A labelled metabolite of Acrylonitrile (ACN).
References: Guengerich, F., et al.: Cancer Res., 41, 4925
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