Molecule ID: 6913738

IUPAC Name: (2S)-2-[[(Z)-octadec-9-enoyl]amino]pentanedioic acid

Description: The molecule is a fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-glutamic acid. It is a N-acyl-L-glutamic acid and a N-(fatty acyl)-L-alpha-amino acid. It derives from an oleic acid. It is a conjugate acid of a N-oleoyl-L-glutamate(2-).

SMILES: CCCCCCCC/C=C\CCCCCCCC(O)=N[C@@H](CCC(=O)O)C(=O)O

SELFIES: [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C23H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h9-10,20H,2-8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)/b10-9-/t20-/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 6.5