Structure Database (LMSD)
Common Name
N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine
Systematic Name
N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine
Synonyms
3D model of N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GSCCUVDKVJUMTG-HTIIIDOHSA-N
InChi (Click to copy)
InChI=1S/C38H74N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-37(42)45-34(33-36(41)40-35(38(43)44)30-28-32-39)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,40,41)(H,43,44)/t34?,35-/m0/s1
SMILES (Click to copy)
C(CCN)[C@](C(=O)O)([H])NC(CC(OC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
0
Aromatic Rings
0
Rotatable Bonds
36
Van der Waals Molecular Volume
723.99
Topological Polar Surface Area
118.72
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
11.03
Molar Refractivity
189.87
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Created at
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Updated at
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