2-[2-[[(E)-octadec-9-enoyl]amino]ethanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[2-[[(E)-octadec-9-enoyl]amino]ethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[2-[[(E)-octadec-9-enoyl]amino]acetyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-[[(E)-1-oxooctadec-9-enyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-[[(E)-octadec-9-enoyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-[[(E)-octadec-9-enoyl]amino]acetyl]amino]propionic acid Formula: C23H42N2O5 MolecularWeight: 426.58998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC(=O)NC(CO)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C23H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)24-18-22(28)25-20(19-26)23(29)30/h9-10,20,26H,2-8,11-19H2,1H3,(H,24,27)(H,25,28)(H,29,30)/b10-9+