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14379-30-7 | L-Valine, N-(1-oxotetradecyl)-
CAS No: 14379-30-7 Catalog No: AG001IDP MDL No:MFCD09752075
Product Description
Catalog Number:
AG001IDP
Chemical Name:
L-Valine, N-(1-oxotetradecyl)-
CAS Number:
14379-30-7
Molecular Formula:
C19H37NO3
Molecular Weight:
327.5020
MDL Number:
MFCD09752075
IUPAC Name:
(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
InChI:
InChI=1S/C19H37NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(21)20-18(16(2)3)19(22)23/h16,18H,4-15H2,1-3H3,(H,20,21)(H,22,23)/t18-/m0/s1
InChI Key:
XGYJHOKDLDLGLP-SFHVURJKSA-N
SMILES:
CCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
327.277g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.509g/mol
Monoisotopic Mass:
327.277g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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