C30 H29 N5 O3
YCW
[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(cyclopropylmethoxy)naphthalen-2-yl]methanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydroc...Show more
Formula
Standard InChI
InChI=1S/C30H29N5O3/c36-29(19-7-8-26-27(10-19)32-33-31-26)34-12-22-23(13-34)25-15-35(14-24(22)25)30(37)20-9-18-3-1-2-4-2...Show more
Standard InChI Key
KXLCIXWJASBLBZ-UCDDGIFISA-N
SMILES
c1ccc2c(c1)cc(cc2OCC3CC3)C(=O)N4C[C@H]5[C@@H]6CN(C[C@@H]6[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.
Displayed: 1 / 2