C28 H29 Cl F N7 O4
Y2O
benzyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
benzyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fl...Show more
Formula
Standard InChI
InChI=1S/C28H29ClFN7O4/c1-33-13-17-7-9-19-22(11-17)37(28(40)41-15-16-5-3-2-4-6-16)23(14-34-27(31)32)24(19)36-26(39)25(38...Show more
Standard InChI Key
JMHDRQIIOQZAQE-RPWUZVMVSA-N
SMILES
[H]/N=C(/N)\NC[C@@H]1[C@H](c2ccc(cc2N1C(=O)OCc3ccccc3)CNC)NC...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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