C40 H53 F3 N6 O8
A1C97
3,5-difluoro-N-[(5R,6aS,8R,10R,12S,13S,15aS,19S,21S,23aS)-8-fluoro-13,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-Nalpha-[(2E,5S)-5-methylhept-2-enoyl]-L-phenylalaninamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3,5-difluoro-N-[(5R,6aS,8R,10R,12S,13S,15aS,19S,21S,23aS)-8-...Show more
Formula
Standard InChI
InChI=1S/C40H53F3N6O8/c1-5-22(2)10-8-13-33(50)45-29(18-25-16-26(41)19-27(42)17-25)35(51)46-34-24(4)57-40(56)31-12-9-15-4...Show more
Standard InChI Key
GRUQKVOPIVMNDY-RVIYGKLPSA-N
SMILES
CC[C@H](C)C/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2[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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