[(2S)-4-azanyl-2-(dioctadecylamino)-4-oxidanylidene-butanoyl] (2S)-2,5-bis(3-azanylpropylamino)pentanoate

Systemtic Name: [(2S)-4-azanyl-2-(dioctadecylamino)-4-oxidanylidene-butanoyl] (2S)-2,5-bis(3-azanylpropylamino)pentanoate Openeye Name: [(2S)-4-amino-2-(dioctadecylamino)-4-oxo-butanoyl] (2S)-2,5-bis(3-aminopropylamino)pentanoate CAS Name: (2S)-2,5-bis(3-aminopropylamino)pentanoic acid [(2S)-4-amino-2-(dioctadecylamino)-1,4-dioxobutyl] ester IUPAC Name: [(2S)-4-amino-2-(dioctadecylamino)-4-oxobutanoyl] (2S)-2,5-bis(3-aminopropylamino)pentanoate Traditional Name: (2S)-2,5-bis(3-aminopropylamino)valeric acid [(2S)-4-amino-2-(distearylamino)-4-keto-butanoyl] ester Formula: C51H104N6O4 MolecularWeight: 865.40926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)[C@@H](CC(=O)N)C(=O)OC(=O)[C@H](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)48(46-49(54)58)51(60)61-50(59)47(56-43-37-40-53)38-35-41-55-42-36-39-52/h47-48,55-56H,3-46,52-53H2,1-2H3,(H2,54,58)/t47-,48-/m0/s1