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Yorodumi- ChemComp-X3J: (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: X3J |
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Name | Name: ( Synonyms: 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE |
-Chemical information
Composition | Formula: C8H14N2O6 / Number of atoms: 30 / Formula weight: 234.207 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: X3J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2X3J | ||||||
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 10.04 | CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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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 1.6.1 | ( | |
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