Molecule ID: 122391301

IUPAC Name: (2S)-5-amino-2-[[(Z)-octadec-9-enoyl]amino]-5-oxopentanoate

Description: The molecule is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-glutamine. The major species at pH 7.3. It is a N-acyl-L-alpha-amino acid anion, a N-(fatty acyl)-L-alpha-amino acid anion and a N-(fatty acyl)-L-glutamine(1-). It is a conjugate base of a N-oleoyl-L-glutamine.

SMILES: CCCCCCCC/C=C\CCCCCCCC(O)=N[C@@H](CCC(=N)[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][=N][O-1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C23H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28)29)18-19-21(24)26/h9-10,20H,2-8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,29)/p-1/b10-9-/t20-/m0/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 6.5