[2-[2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]oxy-3-oxidanyl-propyl] octanoate

Systemtic Name: [2-[2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]oxy-3-oxidanyl-propyl] octanoate Openeye Name: [2-[2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]oxy-3-hydroxy-propyl] octanoate CAS Name: octanoic acid [2-[2-[(3-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]oxy-3-hydroxypropyl] octanoate Traditional Name: caprylic acid [2-[2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]oxy-3-hydroxy-propyl] ester Formula: C20H34N4O6 MolecularWeight: 426.50716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(CO)OC(=O)C(CC1=CN=CN1)NC(=O)CCN

Isomeric SMILES

CCCCCCCC(=O)OCC(CO)OC(=O)C(CC1=CN=CN1)NC(=O)CCN

InChI

InChI=1S/C20H34N4O6/c1-2-3-4-5-6-7-19(27)29-13-16(12-25)30-20(28)17(24-18(26)8-9-21)10-15-11-22-14-23-15/h11,14,16-17,25H,2-10,12-13,21H2,1H3,(H,22,23)(H,24,26)