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- ChemComp-915: (2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TET... -

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Basic information

EntryDatabase: PDB chemical components / ID: 915
NameName: (2R)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-N-hydroxy-2-tetrahydro-2H-pyran-4-ylacetamide

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Chemical information

Composition
Formula: C14H19FN2O5S / Number of atoms: 42 / Formula weight: 346.374 / Formal charge: 0
Others

1yqy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 915 / Model coordinates PDB-ID: 1YQY
History
Create componentFeb 14, 2005
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 10.04Fc1ccc(cc1C)S(=O)(=O)NC(C(=O)NO)C2CCOCC2
CACTVS 3.341Cc1cc(ccc1F)[S](=O)(=O)N[CH](C2CCOCC2)C(=O)NO
OpenEye OEToolkits 1.5.0Cc1cc(ccc1F)S(=O)(=O)NC(C2CCOCC2)C(=O)NO

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SMILES CANONICAL

CACTVS 3.341Cc1cc(ccc1F)[S](=O)(=O)N[C@H](C2CCOCC2)C(=O)NO
OpenEye OEToolkits 1.5.0Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO

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InChI

InChI 1.03InChI=1S/C14H19FN2O5S/c1-9-8-11(2-3-12(9)15)23(20,21)17-13(14(18)16-19)10-4-6-22-7-5-10/h2-3,8,10,13,17,19H,4-7H2,1H3,(H,16,18)/t13-/m1/s1

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InChIKey

InChI 1.03LUCFRFDOOYLALP-CYBMUJFWSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-N-hydroxy-2-(tetrahydro-2H-pyran-4-yl)ethanamide
OpenEye OEToolkits 1.5.0(2R)-2-[(4-fluoro-3-methyl-phenyl)sulfonylamino]-N-hydroxy-2-(oxan-4-yl)ethanamide

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PDB entries

Showing all 1 items

PDB-1yqy:
Structure of B. Anthrax Lethal factor in complex with a hydroxamate inhibitor

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