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- ChemComp-RFN: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyrid... -

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Basic information

EntryDatabase: PDB chemical components / ID: RFN
NameName: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide

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Chemical information

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

3uhm

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RFN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3UHM
History
Create componentNov 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEMBL / 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)(C(C(=O)NO)(CCN1C=CC(=CC1=O)c2ccccc2)C)C
CACTVS 3.370C[C](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)[S](C)(=O)=O
OpenEye OEToolkits 1.7.2CC(CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C

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SMILES CANONICAL

CACTVS 3.370C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)[S](C)(=O)=O
OpenEye OEToolkits 1.7.2C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C

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InChI

InChI 1.03InChI=1S/C17H20N2O5S/c1-17(16(21)18-22,25(2,23)24)9-11-19-10-8-14(12-15(19)20)13-6-4-3-5-7-13/h3-8,10,12,22H,9,11H2,1-2H3,(H,18,21)/t17-/m1/s1

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InChIKey

InChI 1.03NFQOWMXNJNMRTA-QGZVFWFLSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide
OpenEye OEToolkits 1.7.2(2R)-2-methyl-2-methylsulfonyl-N-oxidanyl-4-(2-oxidanylidene-4-phenyl-pyridin-1-yl)butanamide

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PDB entries

Showing all 1 items

PDB-3uhm:
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase in complex with inhibitor

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