C54 H62 N22 O10
1P2
(23R,52R)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(23R,52R)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,...Show more
Formula
Standard InChI
InChI=1S/C54H62N22O10/c1-69-19-29-11-35(69)47(79)57-17-27(55)9-43(77)65-41-25-75(7)45(67-41)53(85)64-34-16-40(74(6)24-34...Show more
Standard InChI Key
KELPAVUCWDTHOZ-VSGBNLITSA-N
SMILES
Cn1cc2cc1C(=O)NC[C@@H](CC(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)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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