Molecule ID: 99290

IUPAC Name: (2S,6R)-2,6-diaminoheptanedioic acid

Description: The molecule is the meso-isomer of 2,6-diaminopimelic acid. It is a key constituent of bacterial peptidoglycan and is often found in human urine due to the breakdown of the gut microbes. It has a role as a human metabolite. It is a conjugate acid of a meso-2,6-diaminopimelate(2-). It is a tautomer of a meso-2,6-diaminopimelic acid dizwitterion.

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

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

InChI: InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -5.9