C54 H67 Cl N8 O13
A1ISC
(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 5-{1-[6-({(4R)-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,4-dihydro-1H-isoindol-4-yl}amino)-6-oxohexyl]-1H-1,2,3-triazol-4-yl}pentanoate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-...Show more
Formula
Standard InChI
InChI=1S/C54H67ClN8O13/c1-31-14-12-18-42(73-6)54(71)28-41(74-52(70)58-54)32(2)49-53(3,76-49)43(27-46(66)61(4)39-25-33(24...Show more
Standard InChI Key
PJCXSAUIJFPNHQ-TVSFCQIVSA-N
SMILES
C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C...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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