DL-TBOA

Ligand id: 4631

Name: DL-TBOA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 109.85
Molecular weight 239.08
XLogP -1.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S)-2-amino-3-(phenylmethoxy)butanedioic acid
Synonyms
dl-threo-β-benzyloxyaspartate
Database Links
CAS Registry No. 205309-81-5 (source: Scifinder)
ChEMBL Ligand CHEMBL79140
GtoPdb PubChem SID 178101349
PubChem CID 5311218
RCSB PDB Ligand TB1
Search Google for chemical match using the InChIKey BYOBCYXURWDEDS-IUCAKERBSA-N
Search Google for chemicals with the same backbone BYOBCYXURWDEDS
Search UniChem for chemical match using the InChIKey BYOBCYXURWDEDS-IUCAKERBSA-N
Search UniChem for chemicals with the same backbone BYOBCYXURWDEDS