2-[[3-azanyl-3-(3-azanylpropylamino)propyl]amino]-2-[2-(dioctadecylamino)-2-oxidanylidene-ethoxy]ethanoate

Systemtic Name: 2-[[3-azanyl-3-(3-azanylpropylamino)propyl]amino]-2-[2-(dioctadecylamino)-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-[[3-amino-3-(3-aminopropylamino)propyl]amino]-2-[2-(dioctadecylamino)-2-oxo-ethoxy]acetate CAS Name: 2-[[3-amino-3-(3-aminopropylamino)propyl]amino]-2-[2-(dioctadecylamino)-2-oxoethoxy]acetate IUPAC Name: 2-[[3-amino-3-(3-aminopropylamino)propyl]amino]-2-[2-(dioctadecylamino)-2-oxoethoxy]acetate Traditional Name: 2-[[3-amino-3-(3-aminopropylamino)propyl]amino]-2-[2-(distearylamino)-2-keto-ethoxy]acetate Formula: C46H94N5O4- MolecularWeight: 781.26966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COC(C(=O)[O-])NCCC(N)NCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COC(C(=O)[O-])NCCC(N)NCCCN

InChI

InChI=1S/C46H95N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40-51(41-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)44(52)42-55-45(46(53)54)50-39-36-43(48)49-38-35-37-47/h43,45,49-50H,3-42,47-48H2,1-2H3,(H,53,54)/p-1