sodium 5-[bis(azanyl)methylideneamino]-2-(dodecanoylamino)pentanoic acid

Systemtic Name: sodium 5-[bis(azanyl)methylideneamino]-2-(dodecanoylamino)pentanoic acid Openeye Name: sodium 2-(dodecanoylamino)-5-guanidino-pentanoic acid CAS Name: sodium 5-(diaminomethylideneamino)-2-(1-oxododecylamino)pentanoic acid IUPAC Name: sodium 5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoic acid Traditional Name: sodium 5-guanidino-2-(lauroylamino)valeric acid Formula: C18H36N4NaO3+ MolecularWeight: 379.49321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.[Na+]

InChI

InChI=1S/C18H36N4O3.Na/c1-2-3-4-5-6-7-8-9-10-13-16(23)22-15(17(24)25)12-11-14-21-18(19)20;/h15H,2-14H2,1H3,(H,22,23)(H,24,25)(H4,19,20,21);/q;+1