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- ChemComp-GNR: 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: GNR
NameName: 2-(3,4-dihydro-3-oxo-2H-benzo[B][1,4]thiazin-2-yl)-N-hydroxyacetamide

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Chemical information

Composition
Formula: C10H10N2O3S / Number of atoms: 26 / Formula weight: 238.263 / Formal charge: 0
Others

1s17

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GNR / Model coordinates PDB-ID: 1S17
History
Create componentJan 8, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / PubChem / ZINC / 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 10.04O=C1Nc2c(SC1CC(=O)NO)cccc2
CACTVS 3.341ONC(=O)C[CH]1Sc2ccccc2NC1=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)NC(=O)C(S2)CC(=O)NO

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SMILES CANONICAL

CACTVS 3.341ONC(=O)C[C@H]1Sc2ccccc2NC1=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO

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InChI

InChI 1.03InChI=1S/C10H10N2O3S/c13-9(12-15)5-8-10(14)11-6-3-1-2-4-7(6)16-8/h1-4,8,15H,5H2,(H,11,14)(H,12,13)/t8-/m1/s1

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InChIKey

InChI 1.03UKDWCJNGBPZOBU-MRVPVSSYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-hydroxy-2-[(2R)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
OpenEye OEToolkits 1.5.0N-hydroxy-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]ethanamide

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PDB entries

Showing all 1 items

PDB-1s17:
Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors

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