C21 H20 N2 O7
AV8
2-carboxamido-2-deacetyl-chelocardin
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
amido-chelocardin, (4S,4aR,12aR)-4-azanyl-6,9-dimethyl-3,10,...Show more
Formula
Standard InChI
InChI=1S/C21H20N2O7/c1-6-3-4-8-7(2)9-5-10-14(22)17(26)13(20(23)29)19(28)21(10,30)18(27)12(9)16(25)11(8)15(6)24/h3-4,10,1...Show more
Standard InChI Key
RKOLRLPHCAUUDK-JTWCOAEXSA-N
SMILES
Cc1ccc2c(c3c(c(c2c1O)O)C(=O)[C@@]4([C@H](C3)[C@@H](C(=C(C4=O...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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