[3-[4-azanylbutyl(3-azanylpropyl)carbamoyl]oxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [3-[4-azanylbutyl(3-azanylpropyl)carbamoyl]oxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [3-[4-aminobutyl(3-aminopropyl)carbamoyl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[[4-aminobutyl(3-aminopropyl)amino]-oxomethoxy]-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[4-aminobutyl(3-aminopropyl)carbamoyl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[4-aminobutyl(3-aminopropyl)carbamoyl]oxy-2-stearoyloxy-propyl] ester Formula: C47H93N3O6 MolecularWeight: 796.25782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)N(CCCCN)CCCN)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)N(CCCCN)CCCN)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C47H93N3O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-45(51)54-42-44(43-55-47(53)50(41-35-39-49)40-34-33-38-48)56-46(52)37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44H,3-43,48-49H2,1-2H3