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144163-45-1 | L-Valine, N-[[methyl(2-pyridinylmethyl)amino]carbonyl]-
CAS No: 144163-45-1 Catalog No: AG001J1H MDL No:
Product Description
Catalog Number:
AG001J1H
Chemical Name:
L-Valine, N-[[methyl(2-pyridinylmethyl)amino]carbonyl]-
CAS Number:
144163-45-1
Molecular Formula:
C13H19N3O3
Molecular Weight:
265.3083
IUPAC Name:
(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoic acid
InChI:
InChI=1S/C13H19N3O3/c1-9(2)11(12(17)18)15-13(19)16(3)8-10-6-4-5-7-14-10/h4-7,9,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
InChI Key:
NAJOUQZXHNSJHB-NSHDSACASA-N
SMILES:
CC([C@@H](C(=O)O)NC(=O)N(Cc1ccccn1)C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
265.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.313g/mol
Monoisotopic Mass:
265.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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