Molecule ID: 46878529

IUPAC Name: (2S)-2-amino-6-[3-[(5S)-5-amino-5-carboxypentyl]imidazol-3-ium-1-yl]hexanoic acid

Description: The molecule is an imidazolium ion formed via cyclo-dimerisation of L-lysine and glyoxal. It has a role as an epitope. It is an imidazolium ion, a L-lysine derivative and a non-proteinogenic L-alpha-amino acid.

SMILES: N[C@@H](CCCCn1cc[n+](CCCC[C@H](N)C(=O)O)c1)C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][O][C][C][C][C][N][C][=C][N+1][Branch1][=C][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring1][=C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C15H26N4O4/c16-12(14(20)21)5-1-3-7-18-9-10-19(11-18)8-4-2-6-13(17)15(22)23/h9-13H,1-8,16-17H2,(H-,20,21,22,23)/p+1/t12-,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -5.0