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

Systemtic Name: octadecyl (2S)-5-[bis(azanyl)methylideneamino]-2-(dodecanoylamino)pentanoate Openeye Name: octadecyl (2S)-2-(dodecanoylamino)-5-guanidino-pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-(1-oxododecylamino)pentanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate Traditional Name: (2S)-5-guanidino-2-(lauroylamino)valeric acid stearyl ester Formula: C36H72N4O3 MolecularWeight: 608.98188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H72N4O3/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-32-43-35(42)33(29-28-31-39-36(37)38)40-34(41)30-26-24-22-20-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H,40,41)(H4,37,38,39)/t33-/m0/s1