C24 H31 F3 N4 O7 S
A1JIP
(2~{S})-~{N}-ethyl-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-~{N}-methyl-2-(4-oxidanyloxan-4-yl)ethanamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2~{S})-~{N}-ethyl-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hyd...Show more
Formula
Standard InChI
InChI=1S/C24H31F3N4O7S/c1-3-30(2)22(35)21(24(36)4-6-37-7-5-24)39-23-20(34)18(19(33)16(11-32)38-23)31-10-15(28-29-31)12-8...Show more
Standard InChI Key
SUPKORZPHWIYLQ-YEJDNYEISA-N
SMILES
CCN(C)C(=O)[C@H](C1(CCOCC1)O)S[C@H]2[C@@H]([C@H]([C@H]([C@H]...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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