Molecule ID: 53754685

IUPAC Name: (2S)-6-amino-2-[[(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carbonyl]amino]hexanoic acid

Description: The molecule is an L-lysine derivative arising from amide formation between N-2 of L-lysine and the carboxy group of alpha-D-galactopyranuronic acid. It has a role as an epitope.

SMILES: NCCCC[C@H](N=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C(=O)O

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

InChI: InChI=1S/C12H22N2O8/c13-4-2-1-3-5(11(19)20)14-10(18)9-7(16)6(15)8(17)12(21)22-9/h5-9,12,15-17,21H,1-4,13H2,(H,14,18)(H,19,20)/t5-,6-,7+,8+,9-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 183.0 Ų
- LogP: -5.1