C37 H57 N4 O2
A1LZ2
(1~{R},2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)-1-[5-[(2~{S})-2-[(2,6-dimethylphenyl)carbamoyl]piperidin-1-yl]pentyl]piperidin-1-ium-2-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1~{R},2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)-1-[5-[(2~{S}...Show more
Formula
Standard InChI
InChI=1S/C37H56N4O2/c1-6-7-25-41(27-14-10-22-33(41)37(43)39-35-30(4)19-16-20-31(35)5)26-13-8-11-23-40-24-12-9-21-32(40)3...Show more
Standard InChI Key
LDTYQAIXDFBLCF-JHWKUKDKSA-O
SMILES
CCCC[N@+]1(CCCC[C@H]1C(=O)Nc2c(cccc2C)C)CCCCCN3CCCC[C@H]3C(=...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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