C13 H18 Br N O4
LR1
(1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxyme...Show more
Formula
Standard InChI
InChI=1S/C13H18BrNO4/c14-8-3-1-7(2-4-8)5-15-10-9(6-16)11(17)13(19)12(10)18/h1-4,9-13,15-19H,5-6H2/t9-,10+,11+,12-,13-/m0...Show more
Standard InChI Key
BSQKACVWQISROJ-QWQWKMKNSA-N
SMILES
c1cc(ccc1CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)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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