C14 H16 Cl2 N2 O2
XWR
(3,5-dichlorophenyl)methyl (3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3,5-dichlorophenyl)methyl (3aR,6aS)-hexahydropyrrolo[3,4-c]...Show more
Formula
Standard InChI
InChI=1S/C14H16Cl2N2O2/c15-12-1-9(2-13(16)3-12)8-20-14(19)18-6-10-4-17-5-11(10)7-18/h1-3,10-11,17H,4-8H2/t10-,11+
Standard InChI Key
WGVNKNWOMFNQFI-PHIMTYICSA-N
SMILES
c1c(cc(cc1Cl)Cl)COC(=O)N2C[C@H]3CNC[C@H]3C2
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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