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Yorodumi- ChemComp-V9R: ~{tert}-butyl ~{N}-[1-[(2~{R})-3-cyclopropyl-1-oxidanylidene-1-[[... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: V9R |
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Name | Name: ~{tert}-butyl ~{N}-[1-[(2~{R})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino] ...Name: ~{ Synonyms: (R,S,S)-13b; 13b-H; ketoamide inhibitor 13b (bound) |
-Chemical information
Composition | Formula: C31H41N5O7 / Number of atoms: 84 / Formula weight: 595.687 / Formal charge: 0 | ||||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: V9R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8A4Q | ||||||||||
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-8a4q:
crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro.