C14 H17 N3 O5
73E
(1S)-1,5-anhydro-1-(5-phenyl-4H-1,2,4-triazol-3-yl)-D-glucitol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-pheny...Show more
Formula
Standard InChI
InChI=1S/C14H17N3O5/c18-6-8-9(19)10(20)11(21)12(22-8)14-15-13(16-17-14)7-4-2-1-3-5-7/h1-5,8-12,18-21H,6H2,(H,15,16,17)/t...Show more
Standard InChI Key
GTQQOMHOHKJYAX-RMPHRYRLSA-N
SMILES
c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)...Show more
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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