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Yorodumi- ChemComp-78A: N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOL... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 78A |
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Name | Name: Synonyms: CA078; N-(L-3-TRANS-BENZYLCARBAMOYLOXIRANE-2-CARBONYL)-L-ISOLEUCYL-L-PROLINE |
-Chemical information
Composition | Formula: C22H29N3O6 / Number of atoms: 60 / Formula weight: 431.482 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 78A / Model coordinates PDB-ID: 2DCD | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / DrugBank / PubChem / ZINC / 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-2dcd:
X-ray crystal structure analysis of bovine spleen cathepsin B-CA078 complex