[(9E,12E)-octadeca-9,12-dienyl] 2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: [(9E,12E)-octadeca-9,12-dienyl] 2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoate Openeye Name: [(9E,12E)-octadeca-9,12-dienyl] 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[(3-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid [(9E,12E)-octadeca-9,12-dienyl] ester IUPAC Name: [(9E,12E)-octadeca-9,12-dienyl] 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propionic acid [(9E,12E)-octadeca-9,12-dienyl] ester Formula: C27H46N4O3 MolecularWeight: 474.67914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOC(=O)C(CC1=CN=CN1)NC(=O)CCN

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOC(=O)C(CC1=CN=CN1)NC(=O)CCN

InChI

InChI=1S/C27H46N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-27(33)25(31-26(32)18-19-28)21-24-22-29-23-30-24/h6-7,9-10,22-23,25H,2-5,8,11-21,28H2,1H3,(H,29,30)(H,31,32)/b7-6+,10-9+