C15 H23 N O4
A1IO9
(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-(3-phenylpropy...Show more
Formula
Standard InChI
InChI=1S/C15H23NO4/c17-10-15(14(20)13(19)12(18)9-16-15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-14,16-20H,4,7-10H2/t12-,13+,14-...Show more
Standard InChI Key
MIBOIJNLAPFANC-LJISPDSOSA-N
SMILES
c1ccc(cc1)CCC[C@]2([C@H]([C@@H]([C@H](CN2)O)O)O)CO
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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