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- ChemComp-Z24: (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine... -

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Basic information

EntryDatabase: PDB chemical components / ID: Z24
NameName: (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid

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Chemical information

Composition
Formula: C11H11F2NO3 / Number of atoms: 28 / Formula weight: 243.207 / Formal charge: 0
Others

5nn2

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Z24 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5NN2
History
Create componentApr 8, 2017
Other modificationApr 8, 2017
Initial releaseFeb 21, 2018
External linksUniChem / ChemSpider / PubChem / 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[CH]1C[CH](CN1c2ccc(F)cc2F)C(O)=O
OpenEye OEToolkits 2.0.6c1cc(c(cc1F)F)N2CC(CC2O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H]1C[C@H](CN1c2ccc(F)cc2F)C(O)=O
OpenEye OEToolkits 2.0.6c1cc(c(cc1F)F)N2C[C@@H](C[C@H]2O)C(=O)O

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InChI

InChI 1.03InChI=1S/C11H11F2NO3/c12-7-1-2-9(8(13)4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6,10,15H,3,5H2,(H,16,17)/t6-,10-/m1/s1

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InChIKey

InChI 1.03HKKAZODAIOIPGM-LHLIQPBNSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid

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PDB entries

Showing all 1 items

PDB-5nn2:
The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490

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