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Yorodumi- ChemComp-P9U: (2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propan... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: P9U |
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Name | Name: ( Synonyms: (2~{S})-2-[[(2~{S})-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid |
-Chemical information
Composition | Formula: C41H44ClN3O6 / Number of atoms: 95 / Formula weight: 710.258 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: P9U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8B5F | ||||
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 3.1.0.0 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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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-8b5f:
Human cathepsin B in complex with the carbamate inhibitor 31