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

Systemtic Name: [1-azanyl-7-[bis(azanyl)methylideneamino]-1-oxidanylidene-heptan-3-yl] pentanoate hydrochloride Openeye Name: [1-(2-amino-2-oxo-ethyl)-5-guanidino-pentyl] pentanoate hydrochloride CAS Name: pentanoic acid [1-amino-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] ester hydrochloride IUPAC Name: [1-amino-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] pentanoate hydrochloride Traditional Name: valeric acid [1-(2-amino-2-keto-ethyl)-5-guanidino-pentyl] ester hydrochloride Formula: C13H27ClN4O3 MolecularWeight: 322.83148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N4O3.ClH/c1-2-3-7-12(19)20-10(9-11(14)18)6-4-5-8-17-13(15)16;/h10H,2-9H2,1H3,(H2,14,18)(H4,15,16,17);1H