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Yorodumi- ChemComp-9JA: (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihyd... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9JA |
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Name | Name: (~{ |
-Chemical information
Composition | Formula: C17H18BF3N3O6S / Number of atoms: 49 / Formula weight: 460.213 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9JA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5VRL | ||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | (~{ |
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