Molecule ID: 7015684

IUPAC Name: (2S)-2-azaniumyl-6-[[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino]hexanoate

Description: The molecule is an L-alpha-amino acid zwitterion that is the dizwitterionic form of epsilon-(gamma-glutamyl)lysine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3. It is a tautomer of an epsilon-(gamma-glutamyl)lysine.

SMILES: N[C@@H](CCCCN=C(O)CC[C@H](N)C(=O)O)C(=O)O

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

InChI: InChI=1S/C11H21N3O5/c12-7(10(16)17)3-1-2-6-14-9(15)5-4-8(13)11(18)19/h7-8H,1-6,12-13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 165.0 Ų
- LogP: -5.0