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

Systemtic Name: methyl (2S)-5-[bis(azanyl)methylideneamino]-2-(octadecanoylamino)pentanoate Openeye Name: methyl (2S)-5-guanidino-2-(octadecanoylamino)pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-(1-oxooctadecylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-(diaminomethylideneamino)-2-(octadecanoylamino)pentanoate Traditional Name: (2S)-5-guanidino-2-stearamido-valeric acid methyl ester Formula: C25H50N4O3 MolecularWeight: 454.6895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H50N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(30)29-22(24(31)32-2)19-18-21-28-25(26)27/h22H,3-21H2,1-2H3,(H,29,30)(H4,26,27,28)/t22-/m0/s1