N-[3-[4-(3-azanylpropylamino)butylamino]propyl-[[5,5-bis(azanyl)-8-[2-[3-[4-(3-azanylpropylamino)butylamino]propyl]-2-formamido-hydrazinyl]-4-ethyl-2,7-bis(oxidanyl)octyl]amino]amino]methanamide

Systemtic Name: N-[3-[4-(3-azanylpropylamino)butylamino]propyl-[[5,5-bis(azanyl)-8-[2-[3-[4-(3-azanylpropylamino)butylamino]propyl]-2-formamido-hydrazinyl]-4-ethyl-2,7-bis(oxidanyl)octyl]amino]amino]methanamide Openeye Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl-[[5,5-diamino-8-[2-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-formamido-hydrazino]-4-ethyl-2,7-dihydroxy-octyl]amino]amino]formamide CAS Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl-[[5,5-diamino-8-[2-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-formamidohydrazinyl]-4-ethyl-2,7-dihydroxyoctyl]amino]amino]formamide IUPAC Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl-[[5,5-diamino-8-[2-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-formamidohydrazinyl]-4-ethyl-2,7-dihydroxyoctyl]amino]amino]formamide Traditional Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl-[[5,5-diamino-8-[N'-[3-[4-(3-aminopropylamino)butylamino]propyl]-N'-formamido-hydrazino]-4-ethyl-2,7-dihydroxy-octyl]amino]amino]formamide Formula: C32H76N14O4 MolecularWeight: 721.03724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CNN(CCCNCCCCNCCCN)NC=O)O)C(CC(CNN(CCCNCCCCNCCCN)NC=O)O)(N)N

Isomeric SMILES

CCC(CC(CNN(CCCNCCCCNCCCN)NC=O)O)C(CC(CNN(CCCNCCCCNCCCN)NC=O)O)(N)N

InChI

InChI=1S/C32H76N14O4/c1-2-29(23-30(49)25-41-45(43-27-47)21-9-19-39-15-5-3-13-37-17-7-11-33)32(35,36)24-31(50)26-42-46(44-28-48)22-10-20-40-16-6-4-14-38-18-8-12-34/h27-31,37-42,49-50H,2-26,33-36H2,1H3,(H,43,47)(H,44,48)