N-[4-(3-azanylpropylamino)butyl]-N'-[6-[bis(azanyl)methylideneamino]hexyl]-2-phenyl-propanediamide

Systemtic Name: N-[4-(3-azanylpropylamino)butyl]-N'-[6-[bis(azanyl)methylideneamino]hexyl]-2-phenyl-propanediamide Openeye Name: N-[4-(3-aminopropylamino)butyl]-N'-(6-guanidinohexyl)-2-phenyl-propanediamide CAS Name: N-[4-(3-aminopropylamino)butyl]-N'-[6-(diaminomethylideneamino)hexyl]-2-phenylpropanediamide IUPAC Name: N-[4-(3-aminopropylamino)butyl]-N'-[6-(diaminomethylideneamino)hexyl]-2-phenylpropanediamide Traditional Name: N-[4-(3-aminopropylamino)butyl]-N'-(6-guanidinohexyl)-2-phenyl-malonamide Formula: C23H41N7O2 MolecularWeight: 447.61734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NCCCCCCN=C(N)N)C(=O)NCCCCNCCCN

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NCCCCCCN=C(N)N)C(=O)NCCCCNCCCN

InChI

InChI=1S/C23H41N7O2/c24-13-10-15-27-14-8-9-17-29-22(32)20(19-11-4-3-5-12-19)21(31)28-16-6-1-2-7-18-30-23(25)26/h3-5,11-12,20,27H,1-2,6-10,13-18,24H2,(H,28,31)(H,29,32)(H4,25,26,30)