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Yorodumi- ChemComp-S78: 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperi... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S78 |
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Name | Name: Synonyms: [(3~{R})-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl-[2-[1-(phenylmethyl)indol-4-yl]oxyethyl]azanium |
-Chemical information
Composition | Formula: C28H38N3O3 / Number of atoms: 72 / Formula weight: 464.62 / Formal charge: 1 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S78 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7AWI | ||||
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 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7awi:
Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate