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Yorodumi- ChemComp-X00: {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)be... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: X00 |
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Name | Name: {( |
-Chemical information
Composition | Formula: C44H58N4O3S2Si2 / Number of atoms: 113 / Formula weight: 811.257 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: X00 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4MQA | ||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | {(OpenEye OEToolkits 1.7.6 | [ | |
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-PDB entries
Showing all 1 items
PDB-4mqa:
Human beta-tryptase co-crystal structure with {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)