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Yorodumi- ChemComp-042: N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-THREONYL-L-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 042 |
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Name | Name: Synonyms: CA042; N-(L-3-TRANS-ETHOXYCARBONYLOXIRANE-2-CARBONYL)-L-THREONYL-L-ISOLEUCINE |
-Chemical information
Composition | Formula: C16H26N2O8 / Number of atoms: 52 / Formula weight: 374.386 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 42 / Model coordinates PDB-ID: 2DC7 | ||||||
History |
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External links | UniChem / ChemSpider / 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-2dc7:
X-ray crystal structure analysis of bovine spleen cathepsin B-CA042 complex