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46460-17-7

46460-17-7 | D-Valine, phenylmethyl ester

CAS No: 46460-17-7 Catalog No: AG01FP16 MDL No:

Product Description

Catalog Number:
AG01FP16
Chemical Name:
D-Valine, phenylmethyl ester
CAS Number:
46460-17-7
IUPAC Name:
benzyl (2R)-2-amino-3-methylbutanoate
InChI:
InChI=1S/C12H17NO2/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-/m1/s1
InChI Key:
YIRBOOICRQFSOK-LLVKDONJSA-N

Properties

Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Literature

Title Journal
Defining the structural parameters that confer anticonvulsant activity by the site-by-site modification of (R)-N'-benzyl 2-amino-3-methylbutanamide. Journal of medicinal chemistry 20111013

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