3-[2,5-bis(3-azanylpropylamino)pentanoylamino]-4-(dioctadecylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2,5-bis(3-azanylpropylamino)pentanoylamino]-4-(dioctadecylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-[2,5-bis(3-aminopropylamino)pentanoylamino]-4-(dioctadecylamino)-4-oxo-butanoic acid CAS Name: 3-[[2,5-bis(3-aminopropylamino)-1-oxopentyl]amino]-4-(dioctadecylamino)-4-oxobutanoic acid IUPAC Name: 3-[2,5-bis(3-aminopropylamino)pentanoylamino]-4-(dioctadecylamino)-4-oxobutanoic acid Traditional Name: 3-[2,5-bis(3-aminopropylamino)pentanoylamino]-4-(distearylamino)-4-keto-butyric acid Formula: C51H104N6O4 MolecularWeight: 865.40926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H104N6O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44-57(45-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51(61)48(46-49(58)59)56-50(60)47(55-43-37-40-53)38-35-41-54-42-36-39-52/h47-48,54-55H,3-46,52-53H2,1-2H3,(H,56,60)(H,58,59)