C15 H18 N2 O2
A1ACK
(3aS,8aS)-6-benzoyloctahydropyrrolo[3,4-d]azepin-1(2H)-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3aS,8aS)-6-benzoyloctahydropyrrolo[3,4-d]azepin-1(2H)-one
Formula
Standard InChI
InChI=1S/C15H18N2O2/c18-14-13-7-9-17(8-6-12(13)10-16-14)15(19)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,18)/t12-,13+/m1/s...Show more
Standard InChI Key
AAXSMHTZGVMTFZ-OLZOCXBDSA-N
SMILES
c1ccc(cc1)C(=O)N2CC[C@@H]3CNC(=O)[C@H]3CC2
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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