methyl 13-[2-[4-azanylbutyl(3-azanylpropyl)amino]ethanoyloxy]-12-oxidanyl-octadecanoate

Systemtic Name: methyl 13-[2-[4-azanylbutyl(3-azanylpropyl)amino]ethanoyloxy]-12-oxidanyl-octadecanoate Openeye Name: methyl 13-[2-[4-aminobutyl(3-aminopropyl)amino]acetyl]oxy-12-hydroxy-octadecanoate CAS Name: 13-[2-[4-aminobutyl(3-aminopropyl)amino]-1-oxoethoxy]-12-hydroxyoctadecanoic acid methyl ester IUPAC Name: methyl 13-[2-[4-aminobutyl(3-aminopropyl)amino]acetyl]oxy-12-hydroxyoctadecanoate Traditional Name: 13-[2-[4-aminobutyl(3-aminopropyl)amino]acetyl]oxy-12-hydroxy-stearic acid methyl ester Formula: C28H57N3O5 MolecularWeight: 515.76928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CCCCCCCCCCC(=O)OC)O)OC(=O)CN(CCCCN)CCCN

Isomeric SMILES

CCCCCC(C(CCCCCCCCCCC(=O)OC)O)OC(=O)CN(CCCCN)CCCN

InChI

InChI=1S/C28H57N3O5/c1-3-4-11-18-26(36-28(34)24-31(23-16-21-30)22-15-14-20-29)25(32)17-12-9-7-5-6-8-10-13-19-27(33)35-2/h25-26,32H,3-24,29-30H2,1-2H3