C18 H37 N O4
A1BLE
(1S,2R,3S,4S,5S)-5-(hexylamino)-4-(hexyloxy)cyclohexane-1,2,3-triol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1S,2R,3S,4S,5S)-5-(hexylamino)-4-(hexyloxy)cyclohexane-1,2,...Show more
Formula
Standard InChI
InChI=1S/C18H37NO4/c1-3-5-7-9-11-19-14-13-15(20)16(21)17(22)18(14)23-12-10-8-6-4-2/h14-22H,3-13H2,1-2H3/t14-,15-,16+,17-...Show more
Standard InChI Key
YXVZGHDVIUUBBR-JCECYMMASA-N
SMILES
CCCCCCN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1OCCCCCC)O)O)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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