C7 H12 N4 O4
CSI
AMINO-(2-IMINO-HEXAHYDRO-PYRIMIDIN-4-YL)-ACETIC ACID
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
AMINO-(2-IMINO-HEXAHYDRO-PYRIMIDIN-4-YL)-ACETIC ACID
Formula
Standard InChI
InChI=1S/C7H12N4O4/c8-6-9-2-1-3(10-6)4(5(12)13)11-7(14)15/h3-4,11H,1-2H2,(H,12,13)(H,14,15)(H3,8,9,10)/t3-,4+/m1/s1
Standard InChI Key
SMMZNNCDNODIPP-DMTCNVIQSA-N
SMILES
[H]/N=C\1/NCC[C@@H](N1)[C@@H](C(=O)O)NC(=O)O
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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