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

Systemtic Name: 4-[2,5-bis(3-azanylpropylamino)pentanoylamino]-5-(dioctadecylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[2,5-bis(3-aminopropylamino)pentanoylamino]-5-(dioctadecylamino)-5-oxo-pentanoic acid CAS Name: 4-[[2,5-bis(3-aminopropylamino)-1-oxopentyl]amino]-5-(dioctadecylamino)-5-oxopentanoic acid IUPAC Name: 4-[2,5-bis(3-aminopropylamino)pentanoylamino]-5-(dioctadecylamino)-5-oxopentanoic acid Traditional Name: 4-[2,5-bis(3-aminopropylamino)pentanoylamino]-5-(distearylamino)-5-keto-valeric acid Formula: C52H106N6O4 MolecularWeight: 879.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(CCC(=O)O)NC(=O)C(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)52(62)49(39-40-50(59)60)57-51(61)48(56-45-37-42-54)38-35-43-55-44-36-41-53/h48-49,55-56H,3-47,53-54H2,1-2H3,(H,57,61)(H,59,60)