Molecule ID: 13535

IUPAC Name: (2R)-2-amino-3-[(2S)-2-amino-2-carboxyethyl]sulfanylpropanoic acid

Description: The molecule is the meso-isomer of lanthionine. It is a key constituent of bacterial peptidoglycan type A51 and A3delta. It is a lanthionine, a L-cysteine derivative and a D-cysteine derivative.

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

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

InChI: InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4+

Molecular Properties:
- Polar Surface Area: 152.0 Ų
- LogP: -6.3