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14379-44-3 | L-Leucine, N-(1-oxodocosyl)-
CAS No: 14379-44-3 Catalog No: AG001IDM MDL No:
Product Description
Catalog Number:
AG001IDM
Chemical Name:
L-Leucine, N-(1-oxodocosyl)-
CAS Number:
14379-44-3
Molecular Formula:
C28H55NO3
Molecular Weight:
453.7412
IUPAC Name:
(2S)-2-(docosanoylamino)-4-methylpentanoic acid
InChI:
InChI=1S/C28H55NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)29-26(28(31)32)24-25(2)3/h25-26H,4-24H2,1-3H3,(H,29,30)(H,31,32)/t26-/m0/s1
InChI Key:
UBENNUYJTVOWIV-SANMLTNESA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CC(C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
453.418g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
453.752g/mol
Monoisotopic Mass:
453.418g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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