[3-(4-azanylbutanoyloxy)-2-(4-azanylbutanoyloxymethyl)-2-(dodecanoylamino)propyl] 4-azanylbutanoate

Systemtic Name: [3-(4-azanylbutanoyloxy)-2-(4-azanylbutanoyloxymethyl)-2-(dodecanoylamino)propyl] 4-azanylbutanoate Openeye Name: [3-(4-aminobutanoyloxy)-2-(4-aminobutanoyloxymethyl)-2-(dodecanoylamino)propyl] 4-aminobutanoate CAS Name: 4-aminobutanoic acid [3-(4-amino-1-oxobutoxy)-2-[(4-amino-1-oxobutoxy)methyl]-2-(1-oxododecylamino)propyl] ester IUPAC Name: [3-(4-aminobutanoyloxy)-2-(4-aminobutanoyloxymethyl)-2-(dodecanoylamino)propyl] 4-aminobutanoate Traditional Name: 4-aminobutyric acid [3-(4-aminobutanoyloxy)-2-(4-aminobutanoyloxymethyl)-2-(lauroylamino)propyl] ester Formula: C28H54N4O7 MolecularWeight: 558.75096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(COC(=O)CCCN)(COC(=O)CCCN)COC(=O)CCCN

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(COC(=O)CCCN)(COC(=O)CCCN)COC(=O)CCCN

InChI

InChI=1S/C28H54N4O7/c1-2-3-4-5-6-7-8-9-10-14-24(33)32-28(21-37-25(34)15-11-18-29,22-38-26(35)16-12-19-30)23-39-27(36)17-13-20-31/h2-23,29-31H2,1H3,(H,32,33)