C21 H34 N4 O3 S
D7M
tert-butyl (2-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
tert-butyl (2-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin...Show more
Formula
Standard InChI
InChI=1S/C21H34N4O3S/c1-21(2,3)28-20(27)23-11-12-29-15-18(25-17-8-4-5-9-17)19(26)24-14-16-7-6-10-22-13-16/h6-7,10,13,17-...Show more
Standard InChI Key
KBEZAWKDMPYHEN-SFHVURJKSA-N
SMILES
CC(C)(C)OC(=O)NCCSC[C@@H](C(=O)NCc1cccnc1)NC2CCCC2
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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