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Yorodumi- ChemComp-TL3: 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TL3 |
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Name | Name: Synonyms: 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL |
-Chemical information
Composition | Formula: C20H22N4O4 / Number of atoms: 50 / Formula weight: 382.413 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TL3 / Model coordinates PDB-ID: 1Y5B | ||||||
History |
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External links | UniChem / DrugBank / Nikkaji / PubChem / PubChem_TPharma / ZINC / ChemSpider / 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-1y5b:
Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant