N-[(5S)-5-azanyl-6-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-6-oxidanylidene-hexyl]pyridine-3-carboxamide

Systemtic Name: N-[(5S)-5-azanyl-6-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-6-oxidanylidene-hexyl]pyridine-3-carboxamide Openeye Name: N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxo-hexyl]pyridine-3-carboxamide CAS Name: N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-3-pyridinecarboxamide IUPAC Name: N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]pyridine-3-carboxamide Traditional Name: N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-keto-hexyl]nicotinamide Formula: C22H41N7O2 MolecularWeight: 435.60664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCCCC(C(=O)NCCCNCCCCNCCCN)N

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCCC[C@@H](C(=O)NCCCNCCCCNCCCN)N

InChI

InChI=1S/C22H41N7O2/c23-10-6-14-25-11-3-4-12-26-15-7-17-29-22(31)20(24)9-1-2-16-28-21(30)19-8-5-13-27-18-19/h5,8,13,18,20,25-26H,1-4,6-7,9-12,14-17,23-24H2,(H,28,30)(H,29,31)/t20-/m0/s1