(3-azanylpropylamino) 5-(3-azanylpropylamino)-2-[2-(dioctadecylamino)-2-oxidanylidene-ethoxy]pentanoate

Systemtic Name: (3-azanylpropylamino) 5-(3-azanylpropylamino)-2-[2-(dioctadecylamino)-2-oxidanylidene-ethoxy]pentanoate Openeye Name: (3-aminopropylamino) 5-(3-aminopropylamino)-2-[2-(dioctadecylamino)-2-oxo-ethoxy]pentanoate CAS Name: 5-(3-aminopropylamino)-2-[2-(dioctadecylamino)-2-oxoethoxy]pentanoic acid (3-aminopropylamino) ester IUPAC Name: (3-aminopropylamino) 5-(3-aminopropylamino)-2-[2-(dioctadecylamino)-2-oxoethoxy]pentanoate Traditional Name: 5-(3-aminopropylamino)-2-[2-(distearylamino)-2-keto-ethoxy]valeric acid (3-aminopropylamino) ester Formula: C49H101N5O4 MolecularWeight: 824.35734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COC(CCCNCCCN)C(=O)ONCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COC(CCCNCCCN)C(=O)ONCCCN

InChI

InChI=1S/C49H101N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44-54(45-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48(55)46-57-47(38-35-41-52-42-36-39-50)49(56)58-53-43-37-40-51/h47,52-53H,3-46,50-51H2,1-2H3