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

Systemtic Name: [1-azanyl-7-[bis(azanyl)methylideneamino]-1-oxidanylidene-heptan-3-yl] butanoate hydrochloride Openeye Name: [1-(2-amino-2-oxo-ethyl)-5-guanidino-pentyl] butanoate hydrochloride CAS Name: butanoic acid [1-amino-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] ester hydrochloride IUPAC Name: [1-amino-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] butanoate hydrochloride Traditional Name: butyric acid [1-(2-amino-2-keto-ethyl)-5-guanidino-pentyl] ester hydrochloride Formula: C12H25ClN4O3 MolecularWeight: 308.8049

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(CCCCN=C(N)N)CC(=O)N.Cl

Isomeric SMILES

CCCC(=O)OC(CCCCN=C(N)N)CC(=O)N.Cl

InChI

InChI=1S/C12H24N4O3.ClH/c1-2-5-11(18)19-9(8-10(13)17)6-3-4-7-16-12(14)15;/h9H,2-8H2,1H3,(H2,13,17)(H4,14,15,16);1H