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7652-46-2

7652-46-2 | L-Cysteine,N-acetyl-, methyl ester

CAS No: 7652-46-2 Catalog No: AG005BL7 MDL No:MFCD00237476

Product Description

Catalog Number:
AG005BL7
Chemical Name:
L-Cysteine,N-acetyl-, methyl ester
CAS Number:
7652-46-2
Molecular Formula:
C6H11NO3S
Molecular Weight:
177.2214
MDL Number:
MFCD00237476
IUPAC Name:
methyl (2R)-2-acetamido-3-sulfanylpropanoate
InChI:
InChI=1S/C6H11NO3S/c1-4(8)7-5(3-11)6(9)10-2/h5,11H,3H2,1-2H3,(H,7,8)/t5-/m0/s1
InChI Key:
QTKAQJWFVXPIFV-YFKPBYRVSA-N
SMILES:
SC[C@@H](C(=O)OC)NC(=O)C

Properties

Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
177.046g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.218g/mol
Monoisotopic Mass:
177.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

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An insight into the radical thiol/yne coupling: the emergence of arylalkyne-tagged sugars for the direct photoinduced glycosylation of cysteine-containing peptides. The Journal of organic chemistry 20110121
Exploring the effects of H-bonding in synthetic analogues of nickel superoxide dismutase (Ni-SOD): experimental and theoretical implications for protection of the Ni-SCys bond. Inorganic chemistry 20100802
New urinary metabolites formed from ring-oxidized metabolic intermediates of styrene. Chemical research in toxicology 20100101
Synthesis and structure-activity relationships of dehydroaltenusin derivatives as selective DNA polymerase alpha inhibitors. Bioorganic & medicinal chemistry 20091015
Structural elucidation of T-2 toxin thermal degradation products and investigations toward their occurrence in retail food. Journal of agricultural and food chemistry 20090311
Methyl mercapturate synthesis: an efficient, convenient and simple method. Molecules (Basel, Switzerland) 20081001
Syntheses and applications of fluorescent and biotinylated epolactaene derivatives: Epolactaene and its derivative induce disulfide formation. Bioorganic & medicinal chemistry 20080501
De novo design, synthesis, and characterization of quinoproteins. Chemistry (Weinheim an der Bergstrasse, Germany) 20060918
Synthesis and stability studies of the glutathione and N-acetylcysteine adducts of an iminoquinone reactive intermediate generated in the biotransformation of 3-(N-phenylamino)propane-1,2-diol: implications for toxic oil syndrome. Chemical research in toxicology 20051101
Evidence for the formation of Michael adducts from reactions of (E,E)-muconaldehyde with glutathione and other thiols. Bioorganic chemistry 20051001
Characterization and quantification of cysteinyl adducts of benzene diol epoxide. Chemical research in toxicology 20050701
Syntheses, structures, and reactivities of (Fe-NO)6 nitrosyls derived from polypyridine-carboxamide ligands: photoactive NO-donors and reagents for S-nitrosylation of alkyl thiols. Inorganic chemistry 20040906
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