C22 H29 N5 O5
A1JPI
(7~{S},10~{S},13~{S})-13-(methylamino)-10-(2-methylpropyl)-18-oxidanyl-9,12-bis(oxidanylidene)-2,4,8,11-tetrazatricyclo[13.3.1.1^{2,5}]icosa-1(19),3,5(20),15,17-pentaene-7-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(7~{S},10~{S},13~{S})-13-(methylamino)-10-(2-methylpropyl)-1...Show more
Formula
Standard InChI
InChI=1S/C22H29N5O5/c1-12(2)6-16-21(30)26-17(22(31)32)9-14-10-27(11-24-14)18-8-13(4-5-19(18)28)7-15(23-3)20(29)25-16/h4-...Show more
Standard InChI Key
AMDXWHXRNUKYAT-ULQDDVLXSA-N
SMILES
CC(C)C[C@H]1C(=O)N[C@@H](Cc2cn(cn2)-c3cc(ccc3O)C[C@@H](C(=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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