Home Other Building Blocks N-ACETYL-S-(2-CARBAMOYLETHYL)-L-CYSTEINE

N-ACETYL-S-(2-CARBAMOYLETHYL)-L-CYSTEINE

CAS No.:
81690-92-8
Catalog Number:
AG00G3H9
Molecular Formula:
C8H14N2O4S
Molecular Weight:
234.2728
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Product Description
Catalog Number:
AG00G3H9
Chemical Name:
N-ACETYL-S-(2-CARBAMOYLETHYL)-L-CYSTEINE
CAS Number:
81690-92-8
Molecular Formula:
C8H14N2O4S
Molecular Weight:
234.2728
MDL Number:
MFCD06658922
IUPAC Name:
(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
InChI:
InChI=1S/C8H14N2O4S/c1-5(11)10-6(8(13)14)4-15-3-2-7(9)12/h6H,2-4H2,1H3,(H2,9,12)(H,10,11)(H,13,14)/t6-/m0/s1
InChI Key:
GGBCHNJZQQEQRX-LURJTMIESA-N
SMILES:
NC(=O)CCSC[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
234.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
234.27g/mol
Monoisotopic Mass:
234.067g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Literature
Title Journal
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Association of CYP2E1, GST and mEH genetic polymorphisms with urinary acrylamide metabolites in workers exposed to acrylamide. Toxicology letters 20110610
Excretion of 2,3-dihydroxy-propionamide (OH-PA), the hydrolysis product of glycidamide, in human urine after single oral dose of deuterium-labeled acrylamide. Archives of toxicology 20110601
Toxicokinetics of acrylamide in rats and humans following single oral administration of low doses. Toxicology and applied pharmacology 20090301
In vivo role of cytochrome P450 2E1 and glutathione-S-transferase activity for acrylamide toxicokinetics in humans. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20090201
Simultaneous determination of mercapturic acids derived from ethylene oxide (HEMA), propylene oxide (2-HPMA), acrolein (3-HPMA), acrylamide (AAMA) and N,N-dimethylformamide (AMCC) in human urine using liquid chromatography/tandem mass spectrometry. Rapid communications in mass spectrometry : RCM 20080901
Hemoglobin adducts and mercapturic acid excretion of acrylamide and glycidamide in one study population. Journal of agricultural and food chemistry 20080813
Biomonitoring Equivalents (BE) dossier for acrylamide (AA) (CAS No. 79-06-1). Regulatory toxicology and pharmacology : RTP 20080801
Uptake of S-(3-amino-3-oxopropyl)-cysteine by Caco-2 cells. Zeitschrift fur Naturforschung. C, Journal of biosciences 20080101
Analysis of urinary N-acetyl-S-(propionamide)-cysteine as a biomarker for the assessment of acrylamide exposure in smokers. Environmental research 20070701
Excretion of mercapturic acids of acrylamide and glycidamide in human urine after single oral administration of deuterium-labelled acrylamide. Archives of toxicology 20060201
Toxicokinetics of acrylamide in humans after ingestion of a defined dose in a test meal to improve risk assessment for acrylamide carcinogenicity. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20060201
Metabolism and hemoglobin adduct formation of acrylamide in humans. Toxicological sciences : an official journal of the Society of Toxicology 20050501
Quantification of urinary N-acetyl-S- (propionamide)cysteine using an on-line clean-up system coupled with liquid chromatography/tandem mass spectrometry. Journal of mass spectrometry : JMS 20050401
Mercapturic acids of acrylamide and glycidamide as biomarkers of the internal exposure to acrylamide in the general population. Mutation research 20050207
Determination and quantification of urinary metabolites after dietary exposure to acrylamide. Xenobiotica; the fate of foreign compounds in biological systems 20050101
Properties