C12 H16 N2 O5
0GG
3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alanine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alanine
Formula
Standard InChI
InChI=1S/C12H16N2O5/c1-19-10-4-7(2-3-9(10)15)5-11(16)14-6-8(13)12(17)18/h2-4,8,15H,5-6,13H2,1H3,(H,14,16)(H,17,18)/t8-/m...Show more
Standard InChI Key
MDFLYKRAUFGSSB-MRVPVSSYSA-N
SMILES
COc1cc(ccc1O)CC(=O)NC[C@H](C(=O)O)N
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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