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

Systemtic Name: 16-methylheptadecyl (2S)-5-[bis(azanyl)methylideneamino]-2-(dodecanoylamino)pentanoate Openeye Name: 16-methylheptadecyl (2S)-2-(dodecanoylamino)-5-guanidino-pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-(1-oxododecylamino)pentanoic acid 16-methylheptadecyl ester IUPAC Name: 16-methylheptadecyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate Traditional Name: (2S)-5-guanidino-2-(lauroylamino)valeric acid 16-methylheptadecyl ester Formula: C36H72N4O3 MolecularWeight: 608.98188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C36H72N4O3/c1-4-5-6-7-8-14-18-21-24-29-34(41)40-33(28-26-30-39-36(37)38)35(42)43-31-25-22-19-16-13-11-9-10-12-15-17-20-23-27-32(2)3/h32-33H,4-31H2,1-3H3,(H,40,41)(H4,37,38,39)/t33-/m0/s1