C15 H14 N2 O6
W85
5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tet...Show more
Formula
Standard InChI
InChI=1S/C15H14N2O6/c1-23-14(21)9-4-2-3-8(7-9)5-6-10-11(13(19)20)16-15(22)17-12(10)18/h2-4,7H,5-6H2,1H3,(H,19,20)(H2,16,...Show more
Standard InChI Key
RTLRPYDATNEMNB-UHFFFAOYSA-N
SMILES
COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=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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