C15 H13 N5 O3
A1CKB
(3S)-3-phenyl-3-[(9H-purine-6-carbonyl)amino]propanoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3S)-3-phenyl-3-[(9H-purine-6-carbonyl)amino]propanoic acid
Formula
Standard InChI
InChI=1S/C15H13N5O3/c21-11(22)6-10(9-4-2-1-3-5-9)20-15(23)13-12-14(18-7-16-12)19-8-17-13/h1-5,7-8,10H,6H2,(H,20,23)(H,21...Show more
Standard InChI Key
FITCGCGTYNVVDR-JTQLQIEISA-N
SMILES
c1ccc(cc1)[C@H](CC(=O)O)NC(=O)c2c3c([nH]cn3)ncn2
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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