C7 H11 Cl2 N O3 S
DC2
N-acetyl-S-[(1S)-1,2-dichloroethyl]-L-cysteine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-acetyl-S-[(1S)-1,2-dichloroethyl]-L-cysteine
Formula
Standard InChI
InChI=1S/C7H11Cl2NO3S/c1-4(11)10-5(7(12)13)3-14-6(9)2-8/h5-6H,2-3H2,1H3,(H,10,11)(H,12,13)/t5-,6+/m0/s1
Standard InChI Key
IORNBBWVBAMRIG-NTSWFWBYSA-N
SMILES
CC(=O)N[C@@H](CS[C@H](CCl)Cl)C(=O)O
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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