[1-azanyl-7-[bis(azanyl)methylideneamino]-1-oxidanylidene-heptan-3-yl] octanoate

Systemtic Name: [1-azanyl-7-[bis(azanyl)methylideneamino]-1-oxidanylidene-heptan-3-yl] octanoate Openeye Name: [1-(2-amino-2-oxo-ethyl)-5-guanidino-pentyl] octanoate CAS Name: octanoic acid [1-amino-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] ester IUPAC Name: [1-amino-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] octanoate Traditional Name: caprylic acid [1-(2-amino-2-keto-ethyl)-5-guanidino-pentyl] ester Formula: C16H32N4O3 MolecularWeight: 328.45028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CCCCN=C(N)N)CC(=O)N

Isomeric SMILES

CCCCCCCC(=O)OC(CCCCN=C(N)N)CC(=O)N

InChI

InChI=1S/C16H32N4O3/c1-2-3-4-5-6-10-15(22)23-13(12-14(17)21)9-7-8-11-20-16(18)19/h13H,2-12H2,1H3,(H2,17,21)(H4,18,19,20)