[(2S)-5-[bis(azanyl)methylideneamino]-2-(dodecanoylamino)pentanoyl] dodecanoate

Systemtic Name: [(2S)-5-[bis(azanyl)methylideneamino]-2-(dodecanoylamino)pentanoyl] dodecanoate Openeye Name: [(2S)-2-(dodecanoylamino)-5-guanidino-pentanoyl] dodecanoate CAS Name: dodecanoic acid [(2S)-5-(diaminomethylideneamino)-1-oxo-2-(1-oxododecylamino)pentyl] ester IUPAC Name: [(2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoyl] dodecanoate Traditional Name: lauric acid [(2S)-5-guanidino-2-(lauroylamino)pentanoyl] ester Formula: C30H58N4O4 MolecularWeight: 538.80592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)OC(=O)CCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H58N4O4/c1-3-5-7-9-11-13-15-17-19-23-27(35)34-26(22-21-25-33-30(31)32)29(37)38-28(36)24-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,34,35)(H4,31,32,33)/t26-/m0/s1