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Yorodumi- ChemComp-586: N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 586 |
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Name | Name: Synonyms: N-{(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-[(3,5-difluorophenoxy)methyl]-2-hydroxy-4-methoxy-5- |
-Chemical information
Composition | Formula: C43H51F2N5O9S / Number of atoms: 111 / Formula weight: 851.955 / Formal charge: 0 | ||||||||
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Others | 3elt | ||||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / PubChem / PubChem_TPharma / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-3ixj:
Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor