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Yorodumi- ChemComp-J21: N-{[(1S)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-ca... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J21 |
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Name | Name: |
-Chemical information
Composition | Formula: C23H31BrN4O10 / Number of atoms: 69 / Formula weight: 603.417 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J21 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4NGR | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / ZINC / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | 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-4ngr:
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor