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- ChemComp-10B: N-2-(biphenyl-4-ylsulfonyl)-N-2-(isopropyloxy)-acetohydroxamic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 10B
NameName: N-2-(biphenyl-4-ylsulfonyl)-N-2-(isopropyloxy)-acetohydroxamic acid
Synonyms: N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide

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Chemical information

Composition
Formula: C17H20N2O5S / Number of atoms: 45 / Formula weight: 364.416 / Formal charge: 0
Others

4h3x

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 10B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4H3X
History
Create componentSep 18, 2012
Modify nameSep 19, 2012
Modify synonymsSep 19, 2012
Initial releaseApr 24, 2013
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / HMDB / 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 12.01O=S(=O)(N(OC(C)C)CC(=O)NO)c2ccc(c1ccccc1)cc2
CACTVS 3.370CC(C)ON(CC(=O)NO)[S](=O)(=O)c1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.7.6CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2

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SMILES CANONICAL

CACTVS 3.370CC(C)ON(CC(=O)NO)[S](=O)(=O)c1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.7.6CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2

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InChI

InChI 1.03InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)

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InChIKey

InChI 1.03PHGLPDURIUEELR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide
OpenEye OEToolkits 1.7.6N-oxidanyl-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]ethanamide

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PDB entries

Showing all 2 items

PDB-4h3x:
Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain

PDB-4h76:
Crystal structure of the catalytic domain of Human MMP12 in complex with a broad spectrum hydroxamate inhibitor

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