C13 H18 N2 O3
LM5
(3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide
Formula
Standard InChI
InChI=1S/C13H18N2O3/c1-8-11(16)12(17)10(15-8)13(18)14-7-9-5-3-2-4-6-9/h2-6,8,10-12,15-17H,7H2,1H3,(H,14,18)/t8-,10+,11+,...Show more
Standard InChI Key
RJAKCSBNEIOVPB-GMNPVEAJSA-N
SMILES
C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc2ccccc2)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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