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Yorodumi- ChemComp-B42: N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-o... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B42 |
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Name | Name: Synonyms: N-[3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-6H-pyridin-3-yl]-1,1-dioxo-4H-benzo[e][1,2,4]thiadiazin-7-yl]methanesulfonamide |
-Chemical information
Composition | Formula: C24H34N4O6S2 / Number of atoms: 70 / Formula weight: 538.68 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B42 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3GYN | ||||||||
History |
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External links | UniChem / Brenda / ChEMBL / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-3gyn:
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor