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Yorodumi- ChemComp-ITA: {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOT... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ITA |
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Name | Name: { Synonyms: 2-CARBOXYMETHYL-1,3,3-TRIOXO-1,2-DIHYDRONAPHTHO[ 1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID CARBOXYMETHYL ESTER |
-Chemical information
Composition | Formula: C16H11NO9S / Number of atoms: 38 / Formula weight: 393.325 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ITA | ||||||
History |
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External links | BindingDB / UniChem / Brenda / 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-2nvc:
Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid derivative (3)