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Yorodumi- ChemComp-C6A: N-[(2S,3R)-4-{[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-d... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: C6A |
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Name | Name: |
-Chemical information
Composition | Formula: C29H38F2N2O3 / Number of atoms: 74 / Formula weight: 500.62 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C6A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QI1 | ||||||
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 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | |
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-PDB entries
Showing all 1 items
PDB-3qi1:
Design and synthesis of hydroxyethylamine (hea) BACE-1 inhibitors: prime side chromane-containing inhibitors