N-[2-[4-(3-azanylpropylamino)butylamino]-1-oxidanyl-2-oxidanylidene-ethyl]-9-[bis(azanyl)methylideneamino]-3-oxidanyl-nonanamide trihydrochloride

Systemtic Name: N-[2-[4-(3-azanylpropylamino)butylamino]-1-oxidanyl-2-oxidanylidene-ethyl]-9-[bis(azanyl)methylideneamino]-3-oxidanyl-nonanamide trihydrochloride Openeye Name: N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxo-ethyl]-9-guanidino-3-hydroxy-nonanamide trihydrochloride CAS Name: N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-9-(diaminomethylideneamino)-3-hydroxynonanamide trihydrochloride IUPAC Name: N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-9-(diaminomethylideneamino)-3-hydroxynonanamide trihydrochloride Traditional Name: N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-keto-ethyl]-9-guanidino-3-hydroxy-pelargonamide trihydrochloride Formula: C19H44Cl3N7O4 MolecularWeight: 540.95616

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCN=C(N)N)CCC(CC(=O)NC(C(=O)NCCCCNCCCN)O)O.Cl.Cl.Cl

Isomeric SMILES

C(CCCN=C(N)N)CCC(CC(=O)NC(C(=O)NCCCCNCCCN)O)O.Cl.Cl.Cl

InChI

InChI=1S/C19H41N7O4.3ClH/c20-9-7-11-23-10-5-6-12-24-17(29)18(30)26-16(28)14-15(27)8-3-1-2-4-13-25-19(21)22;;;/h15,18,23,27,30H,1-14,20H2,(H,24,29)(H,26,28)(H4,21,22,25);3*1H