C15 H17 F2 N2 O7 P
A1CSF
(1S,4E)-3-(difluoromethylidene)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopentane-1-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1S,4E)-3-(difluoromethylidene)-4-[({3-hydroxy-2-methyl-5-[(...Show more
Formula
Standard InChI
InChI=1S/C15H17F2N2O7P/c1-7-13(20)11(9(4-18-7)6-26-27(23,24)25)5-19-12-3-8(15(21)22)2-10(12)14(16)17/h4,8,20H,2-3,5-6H2,...Show more
Standard InChI Key
CGAUSXISDNYHHU-ARSGFDSNSA-N
SMILES
Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\C[C@H](CC2=C(F)F)C(=O)O)O
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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