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Yorodumi- ChemComp-BJC: (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BJC |
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Name | Name: ( Synonyms: (1R,3S)-3-[1-Methyl-1-(2-oxo-piperidin-1-yl)-ethyl]-cyclohexanecarboxylic acid |
-Chemical information
Composition | Formula: C35H51N3O3 / Number of atoms: 92 / Formula weight: 561.798 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BJC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3K5G | ||||||||
History |
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External links | UniChem / ChemSpider / Brenda / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-3k5g:
Human bace-1 complex with bjc060