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Yorodumi- ChemComp-916: N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihyd... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 916 |
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Name | Name: |
-Chemical information
Composition | Formula: C26H38N2O3S / Number of atoms: 70 / Formula weight: 458.657 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 916 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4EXG | ||||
History |
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External links | UniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4exg:
Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors