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

Systemtic Name: octadecyl (2S)-5-[bis(azanyl)methylideneamino]-2-(octadecanoylamino)pentanoate Openeye Name: octadecyl (2S)-5-guanidino-2-(octadecanoylamino)pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-(1-oxooctadecylamino)pentanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-5-(diaminomethylideneamino)-2-(octadecanoylamino)pentanoate Traditional Name: (2S)-5-guanidino-2-stearamido-valeric acid stearyl ester Formula: C42H84N4O3 MolecularWeight: 693.14136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H84N4O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-49-41(48)39(35-34-37-45-42(43)44)46-40(47)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38H2,1-2H3,(H,46,47)(H4,43,44,45)/t39-/m0/s1