2-azanyl-4,7-bis(3-azanylpropylamino)-1-(dioctadecylamino)heptan-3-one

Systemtic Name: 2-azanyl-4,7-bis(3-azanylpropylamino)-1-(dioctadecylamino)heptan-3-one Openeye Name: 2-amino-4,7-bis(3-aminopropylamino)-1-(dioctadecylamino)heptan-3-one CAS Name: 2-amino-4,7-bis(3-aminopropylamino)-1-(dioctadecylamino)-3-heptanone IUPAC Name: 2-amino-4,7-bis(3-aminopropylamino)-1-(dioctadecylamino)heptan-3-one Traditional Name: 2-amino-4,7-bis(3-aminopropylamino)-1-(distearylamino)heptan-3-one Formula: C49H104N6O MolecularWeight: 793.38966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H104N6O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44-55(45-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)46-47(52)49(56)48(54-43-37-40-51)38-35-41-53-42-36-39-50/h47-48,53-54H,3-46,50-52H2,1-2H3