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162377-68-6 | L-Valine, N-benzoyl-3-methyl-
CAS No: 162377-68-6 Catalog No: AG001T2H MDL No:
Product Description
Catalog Number:
AG001T2H
Chemical Name:
L-Valine, N-benzoyl-3-methyl-
CAS Number:
162377-68-6
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
(2S)-2-benzamido-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C13H17NO3/c1-13(2,3)10(12(16)17)14-11(15)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChI Key:
QBZAPERNRVJFDT-SNVBAGLBSA-N
SMILES:
O=C(c1ccccc1)N[C@@H](C(C)(C)C)C(=O)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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