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

Systemtic Name: [3-(4-azanylbutanoyloxy)-2-(4-azanylbutanoyloxymethyl)-2-(decanoylamino)propyl] 4-azanylbutanoate Openeye Name: [3-(4-aminobutanoyloxy)-2-(4-aminobutanoyloxymethyl)-2-(decanoylamino)propyl] 4-aminobutanoate CAS Name: 4-aminobutanoic acid [3-(4-amino-1-oxobutoxy)-2-[(4-amino-1-oxobutoxy)methyl]-2-(1-oxodecylamino)propyl] ester IUPAC Name: [3-(4-aminobutanoyloxy)-2-(4-aminobutanoyloxymethyl)-2-(decanoylamino)propyl] 4-aminobutanoate Traditional Name: 4-aminobutyric acid [3-(4-aminobutanoyloxy)-2-(4-aminobutanoyloxymethyl)-2-(caprylamino)propyl] ester Formula: C26H50N4O7 MolecularWeight: 530.6978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(COC(=O)CCCN)(COC(=O)CCCN)COC(=O)CCCN

Isomeric SMILES

CCCCCCCCCC(=O)NC(COC(=O)CCCN)(COC(=O)CCCN)COC(=O)CCCN

InChI

InChI=1S/C26H50N4O7/c1-2-3-4-5-6-7-8-12-22(31)30-26(19-35-23(32)13-9-16-27,20-36-24(33)14-10-17-28)21-37-25(34)15-11-18-29/h2-21,27-29H2,1H3,(H,30,31)