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

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-(hexylamino)pentanoate Openeye Name: methyl 5-guanidino-2-(hexylamino)pentanoate CAS Name: 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid methyl ester IUPAC Name: methyl 5-(diaminomethylideneamino)-2-(hexylamino)pentanoate Traditional Name: 5-guanidino-2-(hexylamino)valeric acid methyl ester Formula: C13H28N4O2 MolecularWeight: 272.38702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CCCN=C(N)N)C(=O)OC

Isomeric SMILES

CCCCCCNC(CCCN=C(N)N)C(=O)OC

InChI

InChI=1S/C13H28N4O2/c1-3-4-5-6-9-16-11(12(18)19-2)8-7-10-17-13(14)15/h11,16H,3-10H2,1-2H3,(H4,14,15,17)