C23 H29 F4 N5 O3
A1ASH
(1R,2S,5S)-N-[(1R)-1-(5-fluoropyridin-3-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-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,5S)-N-[(1R)-1-(5-fluoropyridin-3-yl)-2-iminoethyl]-6,...Show more
Formula
Standard InChI
InChI=1S/C23H29F4N5O3/c1-21(2,3)17(31-20(35)23(25,26)27)19(34)32-10-13-15(22(13,4)5)16(32)18(33)30-14(7-28)11-6-12(24)9-...Show more
Standard InChI Key
MTZVAELPSBTCAH-CWJTTXGOSA-N
SMILES
[H]/N=C/[C@H](c1cc(cnc1)F)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)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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