C29 H42 N8 O15
CI9
N-{[(1S)-1-carboxy-5-{4-[13-(2,4-dinitroanilino)-2,5,8,11-tetraoxatridecan-1-yl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-L-glutamic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-{[(1S)-1-carboxy-5-{4-[13-(2,4-dinitroanilino)-2,5,8,11-te...Show more
Formula
Standard InChI
InChI=1S/C29H42N8O15/c38-26(39)7-6-24(28(42)43)32-29(44)31-23(27(40)41)3-1-2-9-35-18-20(33-34-35)19-52-16-15-51-14-13-50...Show more
Standard InChI Key
OZXNUTGMCCPZLB-ZEQRLZLVSA-N
SMILES
c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCCOCCOCCOCCOCc2cn(nn2)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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