icosan-9-yl 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: icosan-9-yl 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: 1-octyldodecyl 2-amino-5-guanidino-pentanoate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid eicosan-9-yl ester IUPAC Name: icosan-9-yl 2-amino-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-amino-5-guanidino-valeric acid 1-octyldodecyl ester Formula: C26H54N4O2 MolecularWeight: 454.73256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)OC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)OC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C26H54N4O2/c1-3-5-7-9-11-12-13-15-17-20-23(19-16-14-10-8-6-4-2)32-25(31)24(27)21-18-22-30-26(28)29/h23-24H,3-22,27H2,1-2H3,(H4,28,29,30)