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- ChemComp-QS8: [[(3~{R},6~{R})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hyd... -

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Basic information

EntryDatabase: PDB chemical components / ID: QS8
NameName: [[(3~{R},6~{R})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate

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Chemical information

Composition
Formula: C6H11FN2O5S / Number of atoms: 26 / Formula weight: 242.225 / Formal charge: 0
Others

6zxi

Type: non-polymer / PDB classification: HETAIN / Three letter code: QS8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ZXI
History
Create componentJul 31, 2020
Initial releaseAug 11, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385O[S](=O)(=O)ON[CH]1CC[CH](F)N(C1)C=O
OpenEye OEToolkits 2.0.7C1CC(N(CC1NOS(=O)(=O)O)C=O)F

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SMILES CANONICAL

CACTVS 3.385O[S](=O)(=O)ON[C@@H]1CC[C@@H](F)N(C1)C=O
OpenEye OEToolkits 2.0.7C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)F

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InChI

InChI 1.03InChI=1S/C6H11FN2O5S/c7-6-2-1-5(3-9(6)4-10)8-14-15(11,12)13/h4-6,8H,1-3H2,(H,11,12,13)/t5-,6+/m1/s1

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InChIKey

InChI 1.03NHFNUMMVPZGHRV-RITPCOANSA-N

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PDB entries

Showing all 1 items

PDB-6zxi:
Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310

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