hexadecyl (2S)-5-[bis(azanyl)methylideneamino]-2-(octadecanoylamino)pentanoate

Systemtic Name: hexadecyl (2S)-5-[bis(azanyl)methylideneamino]-2-(octadecanoylamino)pentanoate Openeye Name: hexadecyl (2S)-5-guanidino-2-(octadecanoylamino)pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-(1-oxooctadecylamino)pentanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-5-(diaminomethylideneamino)-2-(octadecanoylamino)pentanoate Traditional Name: (2S)-5-guanidino-2-stearamido-valeric acid cetyl ester Formula: C40H80N4O3 MolecularWeight: 665.0882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C40H80N4O3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-34-38(45)44-37(33-32-35-43-40(41)42)39(46)47-36-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,44,45)(H4,41,42,43)/t37-/m0/s1