N-[2-[4-(3-azanylpropylamino)butylamino]-2-oxidanylidene-1-phenylmethoxy-ethyl]-7-[bis(azanyl)methylideneamino]heptanamide trihydrochloride

Systemtic Name: N-[2-[4-(3-azanylpropylamino)butylamino]-2-oxidanylidene-1-phenylmethoxy-ethyl]-7-[bis(azanyl)methylideneamino]heptanamide trihydrochloride Openeye Name: N-[2-[4-(3-aminopropylamino)butylamino]-1-benzyloxy-2-oxo-ethyl]-7-guanidino-heptanamide trihydrochloride CAS Name: N-[2-[4-(3-aminopropylamino)butylamino]-2-oxo-1-phenylmethoxyethyl]-7-(diaminomethylideneamino)heptanamide trihydrochloride IUPAC Name: N-[2-[4-(3-aminopropylamino)butylamino]-2-oxo-1-phenylmethoxyethyl]-7-(diaminomethylideneamino)heptanamide trihydrochloride Traditional Name: N-[2-[4-(3-aminopropylamino)butylamino]-1-benzoxy-2-keto-ethyl]-7-guanidino-enanthamide trihydrochloride Formula: C24H46Cl3N7O3 MolecularWeight: 587.02614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(C(=O)NCCCCNCCCN)NC(=O)CCCCCCN=C(N)N.Cl.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(C(=O)NCCCCNCCCN)NC(=O)CCCCCCN=C(N)N.Cl.Cl.Cl

InChI

InChI=1S/C24H43N7O3.3ClH/c25-14-10-16-28-15-8-9-17-29-22(33)23(34-19-20-11-4-3-5-12-20)31-21(32)13-6-1-2-7-18-30-24(26)27;;;/h3-5,11-12,23,28H,1-2,6-10,13-19,25H2,(H,29,33)(H,31,32)(H4,26,27,30);3*1H