[(2S)-2,5-bis(3-azanylpropylamino)pentanoyl] (2S)-5-azanyl-2-(dioctadecylamino)-5-oxidanylidene-pentanoate

Systemtic Name: [(2S)-2,5-bis(3-azanylpropylamino)pentanoyl] (2S)-5-azanyl-2-(dioctadecylamino)-5-oxidanylidene-pentanoate Openeye Name: [(2S)-2,5-bis(3-aminopropylamino)pentanoyl] (2S)-5-amino-2-(dioctadecylamino)-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-(dioctadecylamino)-5-oxopentanoic acid [(2S)-2,5-bis(3-aminopropylamino)-1-oxopentyl] ester IUPAC Name: [(2S)-2,5-bis(3-aminopropylamino)pentanoyl] (2S)-5-amino-2-(dioctadecylamino)-5-oxopentanoate Traditional Name: (2S)-5-amino-2-(distearylamino)-5-keto-valeric acid [(2S)-2,5-bis(3-aminopropylamino)pentanoyl] ester Formula: C52H106N6O4 MolecularWeight: 879.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(CCC(=O)N)C(=O)OC(=O)C(CCCNCCCN)NCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)[C@@H](CCC(=O)N)C(=O)OC(=O)[C@H](CCCNCCCN)NCCCN

InChI

InChI=1S/C52H106N6O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-46-58(47-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49(39-40-50(55)59)52(61)62-51(60)48(57-45-37-42-54)38-35-43-56-44-36-41-53/h48-49,56-57H,3-47,53-54H2,1-2H3,(H2,55,59)/t48-,49-/m0/s1