C12 H12 Br F N2 O3 S
A1ILT
(2~{R})-2-azanyl-3-[(7-bromanyl-4-fluoranyl-3~{H}-1-benzothiophen-2-yl)carbonylamino]propanoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2~{R})-2-azanyl-3-[(7-bromanyl-4-fluoranyl-3~{H}-1-benzothi...Show more
Formula
Standard InChI
InChI=1S/C12H12BrFN2O3S/c13-6-1-2-7(14)5-3-9(20-10(5)6)11(17)16-4-8(15)12(18)19/h1-2,8,20H,3-4,15H2,(H,16,17)(H,18,19)/t...Show more
Standard InChI Key
JJQWSFTXAIAWHD-MRVPVSSYSA-N
SMILES
c1cc(c2c(c1F)CC(=S2)C(=O)NC[C@H](C(=O)O)N)Br
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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