N6-(1-OXOHEXADECYL)-L-LYSINE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key IWKZTTDNVPAHNP-FQEVSTJZSA-N
Smiles CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O
InChI
InChI=1/C22H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-19-16-15-17-20(23)22(26)27/h20H,2-19,23H2,1H3,(H,24,25)(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H44N2O3
Molecular Weight 384.34
AlogP 6.01
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 20.0
Polar Surface Area 95.91
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 59012-43-0
NORMAN SUSDAT
CONTENTS