4,7-bis(3-azanylpropylamino)-2-[2-(dioctadecylamino)-2-oxidanylidene-ethoxy]heptanoic acid

Systemtic Name: 4,7-bis(3-azanylpropylamino)-2-[2-(dioctadecylamino)-2-oxidanylidene-ethoxy]heptanoic acid Openeye Name: 4,7-bis(3-aminopropylamino)-2-[2-(dioctadecylamino)-2-oxo-ethoxy]heptanoic acid CAS Name: 4,7-bis(3-aminopropylamino)-2-[2-(dioctadecylamino)-2-oxoethoxy]heptanoic acid IUPAC Name: 4,7-bis(3-aminopropylamino)-2-[2-(dioctadecylamino)-2-oxoethoxy]heptanoic acid Traditional Name: 4,7-bis(3-aminopropylamino)-2-[2-(distearylamino)-2-keto-ethoxy]enanthic acid Formula: C51H105N5O4 MolecularWeight: 852.4105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COC(CC(CCCNCCCN)NCCCN)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COC(CC(CCCNCCCN)NCCCN)C(=O)O

InChI

InChI=1S/C51H105N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44-56(45-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)50(57)47-60-49(51(58)59)46-48(55-43-37-40-53)38-35-41-54-42-36-39-52/h48-49,54-55H,3-47,52-53H2,1-2H3,(H,58,59)