N-[6-[3-(dimethylamino)propylamino]-5-(octadecanoylamino)-6-oxidanylidene-hexyl]octadecanamide

Systemtic Name: N-[6-[3-(dimethylamino)propylamino]-5-(octadecanoylamino)-6-oxidanylidene-hexyl]octadecanamide Openeye Name: N-[6-[3-(dimethylamino)propylamino]-5-(octadecanoylamino)-6-oxo-hexyl]octadecanamide CAS Name: N-[6-[3-(dimethylamino)propylamino]-6-oxo-5-(1-oxooctadecylamino)hexyl]octadecanamide IUPAC Name: N-[6-[3-(dimethylamino)propylamino]-5-(octadecanoylamino)-6-oxohexyl]octadecanamide Traditional Name: N-[6-[3-(dimethylamino)propylamino]-6-keto-5-stearamido-hexyl]stearamide Formula: C47H94N4O3 MolecularWeight: 763.27426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)NCCCN(C)C)NC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)NCCCN(C)C)NC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C47H94N4O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-45(52)48-41-36-35-38-44(47(54)49-42-37-43-51(3)4)50-46(53)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h44H,5-43H2,1-4H3,(H,48,52)(H,49,54)(H,50,53)