[3-[2-(3-azanylpropylamino)ethanoylamino]-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [3-[2-(3-azanylpropylamino)ethanoylamino]-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [3-[[2-(3-aminopropylamino)acetyl]amino]-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[[2-(3-aminopropylamino)-1-oxoethyl]amino]-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[[2-(3-aminopropylamino)acetyl]amino]-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[[2-(3-aminopropylamino)acetyl]amino]-2-stearoyloxy-propyl] ester Formula: C44H87N3O5 MolecularWeight: 738.17868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)CNCCCN)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)CNCCCN)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H87N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-43(49)51-40-41(38-47-42(48)39-46-37-33-36-45)52-44(50)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,46H,3-40,45H2,1-2H3,(H,47,48)