[1-azanyl-7-[bis(azanyl)methylideneamino]-1-oxidanylidene-heptan-3-yl] 2-methylpropanoate hydrochloride

Systemtic Name: [1-azanyl-7-[bis(azanyl)methylideneamino]-1-oxidanylidene-heptan-3-yl] 2-methylpropanoate hydrochloride Openeye Name: [1-(2-amino-2-oxo-ethyl)-5-guanidino-pentyl] 2-methylpropanoate hydrochloride CAS Name: 2-methylpropanoic acid [1-amino-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] ester hydrochloride IUPAC Name: [1-amino-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] 2-methylpropanoate hydrochloride Traditional Name: 2-methylpropionic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N4O3.ClH/c1-8(2)11(18)19-9(7-10(13)17)5-3-4-6-16-12(14)15;/h8-9H,3-7H2,1-2H3,(H2,13,17)(H4,14,15,16);1H