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

Systemtic Name: octadecyl (2S)-5-[bis(azanyl)methylideneamino]-2-(hexadecanoylamino)pentanoate Openeye Name: octadecyl (2S)-5-guanidino-2-(hexadecanoylamino)pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-(1-oxohexadecylamino)pentanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-5-(diaminomethylideneamino)-2-(hexadecanoylamino)pentanoate Traditional Name: (2S)-5-guanidino-2-palmitamido-valeric acid stearyl ester Formula: C40H80N4O3 MolecularWeight: 665.0882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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