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- ChemComp-FKI: 5,5-DI-FLUORO-2-KETO-3-AMINOPENTANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: FKI
NameName: 5,5-di-fluoro-2-keto-3-aminopentanoic acid

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Chemical information

Composition
Formula: C5H7F2NO3 / Number of atoms: 18 / Formula weight: 167.111 / Formal charge: 0
Others

1dy8

ABK

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FKI / Model coordinates PDB-ID: 1DY8 / Replaces: ABK
History
Create componentFeb 1, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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=C(C(=O)O)C(N)CC(F)F
CACTVS 3.341N[CH](CC(F)F)C(=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)C(=O)O)N)C(F)F

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SMILES CANONICAL

CACTVS 3.341N[C@@H](CC(F)F)C(=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)C(=O)O)N)C(F)F

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InChI

InChI 1.03InChI=1S/C5H7F2NO3/c6-3(7)1-2(8)4(9)5(10)11/h2-3H,1,8H2,(H,10,11)/t2-/m0/s1

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InChIKey

InChI 1.03SIDURDZMYAFRSX-REOHCLBHSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(3S)-3-amino-5,5-difluoro-2-oxopentanoic acid
OpenEye OEToolkits 1.5.0(3S)-3-amino-5,5-difluoro-2-oxo-pentanoic acid

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