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Yorodumi- ChemComp-356: 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-met... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 356 | ||
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Name | Name: Synonyms: Linagliptin Comment | medication*YM | |
-Chemical information
Composition | Formula: C25H28N8O2 / Number of atoms: 63 / Formula weight: 472.542 / Formal charge: 0 | ||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 356 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2RGU | ||||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / DailyMed / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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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