5-azanyl-8-[bis(azanyl)methylideneamino]-4-oxidanylidene-2-(phenylmethyl)octanoic acid hydrochloride

Systemtic Name: 5-azanyl-8-[bis(azanyl)methylideneamino]-4-oxidanylidene-2-(phenylmethyl)octanoic acid hydrochloride Openeye Name: 5-amino-2-benzyl-8-guanidino-4-oxo-octanoic acid hydrochloride CAS Name: 5-amino-8-(diaminomethylideneamino)-4-oxo-2-(phenylmethyl)octanoic acid hydrochloride IUPAC Name: 5-amino-2-benzyl-8-(diaminomethylideneamino)-4-oxooctanoic acid hydrochloride Traditional Name: 5-amino-2-benzyl-8-guanidino-4-keto-caprylic acid hydrochloride Formula: C16H25ClN4O3 MolecularWeight: 356.8477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)C(CCCN=C(N)N)N)C(=O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)C(CCCN=C(N)N)N)C(=O)O.Cl

InChI

InChI=1S/C16H24N4O3.ClH/c17-13(7-4-8-20-16(18)19)14(21)10-12(15(22)23)9-11-5-2-1-3-6-11;/h1-3,5-6,12-13H,4,7-10,17H2,(H,22,23)(H4,18,19,20);1H