3-(1H-imidazol-5-yl)-2-[2-[[(E)-octadec-9-enoyl]amino]hexadecanoylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[2-[[(E)-octadec-9-enoyl]amino]hexadecanoylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[2-[[(E)-octadec-9-enoyl]amino]hexadecanoylamino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[1-oxo-2-[[(E)-1-oxooctadec-9-enyl]amino]hexadecyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[2-[[(E)-octadec-9-enoyl]amino]hexadecanoylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[2-[[(E)-octadec-9-enoyl]amino]hexadecanoylamino]propionic acid Formula: C40H72N4O4 MolecularWeight: 673.02408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C40H72N4O4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(45)43-36(30-28-26-24-22-20-16-14-12-10-8-6-4-2)39(46)44-37(40(47)48)32-35-33-41-34-42-35/h17-18,33-34,36-37H,3-16,19-32H2,1-2H3,(H,41,42)(H,43,45)(H,44,46)(H,47,48)/b18-17+