Molecule ID: 25203594

IUPAC Name: (2R,6S)-2,6-diamino-3-hydroxyheptanedioic acid

Description: The molecule is an amino dicarboxylic acid that is meso-2,6-diaminopimelic acid in which a hydrogen at position 3 has been replaced by a hydroxy group. It is a constituent of bacterial cell wall peptidoglycan. It is an amino dicarboxylic acid, a 3-hydroxy carboxylic acid and a non-proteinogenic alpha-amino acid. It derives from a meso-2,6-diaminopimelic acid.

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

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

InChI: InChI=1S/C7H14N2O5/c8-3(6(11)12)1-2-4(10)5(9)7(13)14/h3-5,10H,1-2,8-9H2,(H,11,12)(H,13,14)/t3-,4?,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: -6.9