C13 H14 B F O5
A1EO2
2-[[(3~{R})-5-(2-fluoranylethoxy)-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methyl]prop-2-enoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-[[(3~{R})-5-(2-fluoranylethoxy)-1-oxidanyl-3~{H}-2,1-benzo...Show more
Formula
Standard InChI
InChI=1S/C13H14BFO5/c1-8(13(16)17)6-12-10-7-9(19-5-4-15)2-3-11(10)14(18)20-12/h2-3,7,12,18H,1,4-6H2,(H,16,17)/t12-/m1/s1
Standard InChI Key
GHVQJCJQYJIOIC-GFCCVEGCSA-N
SMILES
B1(c2ccc(cc2[C@H](O1)CC(=C)C(=O)O)OCCF)O
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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