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

Systemtic Name: hexadecyl (2S)-5-[bis(azanyl)methylideneamino]-2-(hexadecanoylamino)pentanoate Openeye Name: hexadecyl (2S)-5-guanidino-2-(hexadecanoylamino)pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-(1-oxohexadecylamino)pentanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-5-(diaminomethylideneamino)-2-(hexadecanoylamino)pentanoate Traditional Name: (2S)-5-guanidino-2-palmitamido-valeric acid cetyl ester Formula: C38H76N4O3 MolecularWeight: 637.03504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CCCN=C(N)N)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C38H76N4O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-45-37(44)35(31-30-33-41-38(39)40)42-36(43)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H,42,43)(H4,39,40,41)/t35-/m0/s1