C18 H19 N3 O4 S
R74
N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)meth...Show more
Formula
Standard InChI
InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(...Show more
Standard InChI Key
PDIUERQHFJXFMT-AWEZNQCLSA-N
SMILES
c1cc2c(cc1CC(=O)N[C@@H](CS)C(=O)NCc3ccncc3)OCO2
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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