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14379-32-9 | L-Valine, N-(1-oxooctadecyl)-
CAS No: 14379-32-9 Catalog No: AG001IDO MDL No:
Product Description
Catalog Number:
AG001IDO
Chemical Name:
L-Valine, N-(1-oxooctadecyl)-
CAS Number:
14379-32-9
Molecular Formula:
C23H45NO3
Molecular Weight:
383.6083
IUPAC Name:
(2S)-3-methyl-2-(octadecanoylamino)butanoic acid
InChI:
InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)24-22(20(2)3)23(26)27/h20,22H,4-19H2,1-3H3,(H,24,25)(H,26,27)/t22-/m0/s1
InChI Key:
SIPMISGYHBUSIB-QFIPXVFZSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
383.34g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.617g/mol
Monoisotopic Mass:
383.34g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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