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23361-37-7 | Butanamide, 2-(acetylamino)-4-(methylthio)-, (2S)-
CAS No: 23361-37-7 Catalog No: AG002MZ5 MDL No:MFCD00066058
Product Description
Catalog Number:
AG002MZ5
Chemical Name:
Butanamide, 2-(acetylamino)-4-(methylthio)-, (2S)-
CAS Number:
23361-37-7
Molecular Formula:
C7H14N2O2S
Molecular Weight:
190.2633
MDL Number:
MFCD00066058
IUPAC Name:
(2S)-2-acetamido-4-methylsulfanylbutanamide
InChI:
InChI=1S/C7H14N2O2S/c1-5(10)9-6(7(8)11)3-4-12-2/h6H,3-4H2,1-2H3,(H2,8,11)(H,9,10)/t6-/m0/s1
InChI Key:
AJQATZBTQNYZFO-LURJTMIESA-N
SMILES:
CSCC[C@@H](C(=O)N)NC(=O)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.078g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.261g/mol
Monoisotopic Mass:
190.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Density functional theory methods as powerful tools to elucidate amino acid oxidation mechanisms. A case study on methionine model peptide. | The journal of physical chemistry. B 20070118 |
| Redox processes of methionine relevant to beta-amyloid oxidation and Alzheimer's disease. | Archives of biochemistry and biophysics 20020115 |
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