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Yorodumi- ChemComp-DOE: (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-ACETAMIDO)-BENZYL)-1,4,7,10-TETR... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: DOE |
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Name | Name: ( |
-Chemical information
Composition | Formula: C27H41N5O10S / Number of atoms: 84 / Formula weight: 627.707 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DOE / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 / Model coordinates PDB-ID: 1NC2 | ||||
History |
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External links | UniChem / ChemSpider / ChEBI / PubChem / 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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-PDB entries
Showing all 1 items
PDB-1nc2:
Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y-DOTA