C17 H21 N O3 S
2PS
phenyl (3S)-3-amino-5-phenylpentane-1-sulfonate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
phenyl (3S)-3-amino-5-phenylpentane-1-sulfonate
Formula
Standard InChI
InChI=1S/C17H21NO3S/c18-16(12-11-15-7-3-1-4-8-15)13-14-22(19,20)21-17-9-5-2-6-10-17/h1-10,16H,11-14,18H2/t16-/m0/s1
Standard InChI Key
QVFYBMULUDUABA-INIZCTEOSA-N
SMILES
c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)N
Source OpenEye
Is part of
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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