C24 H26 Cl N5 O5 S
XF9
[3-chloro-5-(methanesulfonyl)phenyl]methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
[3-chloro-5-(methanesulfonyl)phenyl]methyl (3aR,8aS)-2-(1H-b...Show more
Formula
Standard InChI
InChI=1S/C24H26ClN5O5S/c1-36(33,34)20-9-15(8-19(25)11-20)14-35-24(32)29-6-4-17-12-30(13-18(17)5-7-29)23(31)16-2-3-21-22(...Show more
Standard InChI Key
PRIDUUZUQRLXCV-UHFFFAOYSA-N
SMILES
CS(=O)(=O)c1cc(cc(c1)Cl)COC(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)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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