C12 H21 N O12 P2
S3A
(2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-...Show more
Formula
Standard InChI
InChI=1S/C12H21NO12P2/c1-7(14)13-9(12(19)20)4-5-26(21,25-27(22,23)24)6-8(11(17)18)2-3-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)...Show more
Standard InChI Key
GAWJDXYZTLOFMC-UXDGFGRTSA-N
SMILES
CC(=O)N[C@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)...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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