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Yorodumi- ChemComp-U9K: (1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: U9K |
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Name | Name: ( Synonyms: 4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium |
-Chemical information
Composition | Formula: C20H30FN4O4P / Number of atoms: 60 / Formula weight: 440.449 / Formal charge: 2 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: U9K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7NEU | ||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7neu:
Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (TAFIa)