C18 H33 N3 O5
A1AXI
(3S)-4-({(1S)-2-[(8-aminooctyl)amino]-1-cyclobutyl-2-oxoethyl}amino)-3-hydroxy-4-oxobutanoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3S)-4-({(1S)-2-[(8-aminooctyl)amino]-1-cyclobutyl-2-oxoethy...Show more
Formula
Standard InChI
InChI=1S/C18H33N3O5/c19-10-5-3-1-2-4-6-11-20-18(26)16(13-8-7-9-13)21-17(25)14(22)12-15(23)24/h13-14,16,22H,1-12,19H2,(H,...Show more
Standard InChI Key
DGPBSMLADVAZDL-HOCLYGCPSA-N
SMILES
C1CC(C1)[C@@H](C(=O)NCCCCCCCCN)NC(=O)[C@H](CC(=O)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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