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206069-14-9 | L-Valine, N-[(1S)-1-methyl-2-(methylamino)-2-oxo-1-phenylethyl]-, methyl ester
CAS No: 206069-14-9 Catalog No: AG002AIK MDL No:
Product Description
Catalog Number:
AG002AIK
Chemical Name:
L-Valine, N-[(1S)-1-methyl-2-(methylamino)-2-oxo-1-phenylethyl]-, methyl ester
CAS Number:
206069-14-9
Molecular Formula:
C16H24N2O3
Molecular Weight:
292.3734
IUPAC Name:
methyl (2S)-3-methyl-2-[[(2S)-1-(methylamino)-1-oxo-2-phenylpropan-2-yl]amino]butanoate
InChI:
InChI=1S/C16H24N2O3/c1-11(2)13(14(19)21-5)18-16(3,15(20)17-4)12-9-7-6-8-10-12/h6-11,13,18H,1-5H3,(H,17,20)/t13-,16-/m0/s1
InChI Key:
NZIPIATVCBEAEK-BBRMVZONSA-N
SMILES:
CNC(=O)[C@](c1ccccc1)(N[C@H](C(=O)OC)C(C)C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
292.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.379g/mol
Monoisotopic Mass:
292.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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