C18 H23 N7 O3 S2
5D8
ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thia...Show more
Formula
Standard InChI
InChI=1S/C18H23N7O3S2/c1-3-27-17(26)12-8-30-16(24-12)13-9(2)28-14(25-13)11-7-29-15(23-11)10(19)5-4-6-22-18(20)21/h7-8,10...Show more
Standard InChI Key
LDXVRBOROSJVJC-JTQLQIEISA-N
SMILES
[H]/N=C(\N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OC...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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