C27 H32 F3 N5 O3
A1ASG
(1R,2S,5R)-N-[(1R)-2-imino-1-(isoquinolin-4-yl)ethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1R,2S,5R)-N-[(1R)-2-imino-1-(isoquinolin-4-yl)ethyl]-6,6-di...Show more
Formula
Standard InChI
InChI=1S/C27H32F3N5O3/c1-25(2,3)21(34-24(38)27(28,29)30)23(37)35-13-17-19(26(17,4)5)20(35)22(36)33-18(10-31)16-12-32-11-...Show more
Standard InChI Key
QLSWGUKDGFCWGV-YMOWFGOVSA-N
SMILES
[H]/N=C/[C@H](c1cncc2c1cccc2)NC(=O)[C@@H]3[C@@H]4[C@@H](C4(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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