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Home Other Building Blocks L-Cysteine, N-acetyl-S-propyl-

L-Cysteine, N-acetyl-S-propyl-

CAS No.:
14402-54-1
Catalog Number:
AG001ITA
Molecular Formula:
C8H15NO3S
Molecular Weight:
205.2746
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Product Description
Catalog Number:
AG001ITA
Chemical Name:
L-Cysteine, N-acetyl-S-propyl-
CAS Number:
14402-54-1
Molecular Formula:
C8H15NO3S
Molecular Weight:
205.2746
MDL Number:
MFCD12755984
IUPAC Name:
(2R)-2-acetamido-3-propylsulfanylpropanoic acid
InChI:
InChI=1S/C8H15NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChI Key:
PSOKBYBSKZWNMI-ZETCQYMHSA-N
SMILES:
CCCSC[C@@H](C(=O)O)NC(=O)C
UNII:
A0X44R47N4
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
205.077g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.272g/mol
Monoisotopic Mass:
205.077g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Comparison and evaluation of urinary biomarkers for occupational exposure to spray adhesives containing 1-bromopropane. Toxicology mechanisms and methods 20120901
Bromide and N-acetyl-S-(n-propyl)-L-cysteine in urine from workers exposed to 1-bromopropane solvents from vapor degreasing or adhesive manufacturing. International archives of occupational and environmental health 20100601
N-acetyl-S-(n-propyl)-l-cysteine in urine from workers exposed to 1-bromopropane in foam cushion spray adhesives. The Annals of occupational hygiene 20091001
Development of an HPLC-MS procedure for the quantification of N-acetyl-S-(n-propyl)-l-cysteine, the major urinary metabolite of 1-bromopropane in human urine. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20090315
Globin s-propyl cysteine and urinary N-acetyl-S-propylcysteine as internal biomarkers of 1-bromopropane exposure. Toxicological sciences : an official journal of the Society of Toxicology 20070801
CYP2E1-catalyzed oxidation contributes to the sperm toxicity of 1-bromopropane in mice. Biology of reproduction 20070301
Metabolism and disposition of 1-bromopropane in rats and mice following inhalation or intravenous administration. Toxicology and applied pharmacology 20060815
Properties