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3054-51-1 | Butanoic acid, 2-(acetylamino)-4-(methylsulfinyl)-
CAS No: 3054-51-1 Catalog No: AG0030HX MDL No:
Product Description
Catalog Number:
AG0030HX
Chemical Name:
Butanoic acid, 2-(acetylamino)-4-(methylsulfinyl)-
CAS Number:
3054-51-1
Molecular Formula:
C7H13NO4S
Molecular Weight:
207.2474
IUPAC Name:
2-acetamido-4-methylsulfinylbutanoic acid
InChI:
InChI=1S/C7H13NO4S/c1-5(9)8-6(7(10)11)3-4-13(2)12/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChI Key:
NPIMMZJBURSMON-UHFFFAOYSA-N
SMILES:
CS(=O)CCC(C(=O)O)NC(=O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.244g/mol
Monoisotopic Mass:
207.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
Literature
| Title | Journal |
|---|---|
| Induction of methionine-sulfoxide reductases protects neurons from amyloid β-protein insults in vitro and in vivo. | Biochemistry 20111213 |
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