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Yorodumi- ChemComp-S9U: [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S9U |
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Name | Name: [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan- ...Name: [( |
-Chemical information
Composition | Formula: C25H44N3O8S / Number of atoms: 81 / Formula weight: 546.697 / Formal charge: 1 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S9U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8DGY | ||||
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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-8dgy:
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d (high resolution)