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Yorodumi- ChemComp-YY2: 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: YY2 |
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Name | Name: |
-Chemical information
Composition | Formula: C14H21ClN2O3 / Number of atoms: 41 / Formula weight: 300.781 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: YY2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4WRH | ||||||
History |
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External links | UniChem / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4wrh:
AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide