[5-[bis(azanyl)methylideneamino]-2-(octadecanoylamino)pentanoyl] hexadecanoate

Systemtic Name: [5-[bis(azanyl)methylideneamino]-2-(octadecanoylamino)pentanoyl] hexadecanoate Openeye Name: [5-guanidino-2-(octadecanoylamino)pentanoyl] hexadecanoate CAS Name: hexadecanoic acid [5-(diaminomethylideneamino)-1-oxo-2-(1-oxooctadecylamino)pentyl] ester IUPAC Name: [5-(diaminomethylideneamino)-2-(octadecanoylamino)pentanoyl] hexadecanoate Traditional Name: palmitic acid (5-guanidino-2-stearamido-pentanoyl) ester Formula: C40H78N4O4 MolecularWeight: 679.07172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C40H78N4O4/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-33-37(45)44-36(32-31-35-43-40(41)42)39(47)48-38(46)34-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h36H,3-35H2,1-2H3,(H,44,45)(H4,41,42,43)