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- ChemComp-BYX: 2,2'-(1,4-phenylene)bis(N-hydroxyacetamide) -

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Basic information

EntryDatabase: PDB chemical components / ID: BYX
NameName: 2,2'-(1,4-phenylene)bis(N-hydroxyacetamide)

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Chemical information

Composition
Formula: C10H12N2O4 / Number of atoms: 28 / Formula weight: 224.213 / Formal charge: 0
Others

5up9

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BYX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5UP9
History
Create componentFeb 3, 2017
Initial releaseSep 27, 2017
External linksUniChem / ChemSpider / CompTox / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(NO)Cc1ccc(cc1)CC(NO)=O
CACTVS 3.385ONC(=O)Cc1ccc(CC(=O)NO)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1CC(=O)NO)CC(=O)NO

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SMILES CANONICAL

CACTVS 3.385ONC(=O)Cc1ccc(CC(=O)NO)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1CC(=O)NO)CC(=O)NO

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InChI

InChI 1.03InChI=1S/C10H12N2O4/c13-9(11-15)5-7-1-2-8(4-3-7)6-10(14)12-16/h1-4,15-16H,5-6H2,(H,11,13)(H,12,14)

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InChIKey

InChI 1.03BKDWYNGFJRBIJD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012,2'-(1,4-phenylene)bis(N-hydroxyacetamide)
OpenEye OEToolkits 2.0.6~{N}-oxidanyl-2-[4-[2-(oxidanylamino)-2-oxidanylidene-ethyl]phenyl]ethanamide

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PDB entries

Showing all 1 items

PDB-5up9:
Crystal Structure of Zn-bound Human Heavy-Chain ferritin variant 122H-delta C-star with para-xylenedihydroxamate

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