C29 H36 F2 N4 O4 S
VFO
(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonyl...Show more
Formula
Standard InChI
InChI=1S/C29H36F2N4O4S/c1-15-23(40-14-32-15)19-10-16-6-5-7-21(18(16)12-20(19)30)33-25(37)22-11-17(36)13-35(22)26(38)24(2...Show more
Standard InChI Key
HWXXTNVUYSSVNI-IBTIQNRDSA-N
SMILES
Cc1c(scn1)c2cc3c(cc2F)[C@H](CCC3)NC(=O)[C@@H]4C[C@H](CN4C(=O...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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