C20 H21 Cl O8
SBQ
methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(...Show more
Formula
Standard InChI
InChI=1S/C20H21ClO8/c1-27-19(26)12-4-2-3-10(7-12)11-5-6-14(13(21)8-11)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,2...Show more
Standard InChI Key
PDLRSZVVAYSCAH-JGLNRKDHSA-N
SMILES
COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C...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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