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- ChemComp-U7F: [(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]a... -

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Basic information

EntryDatabase: PDB chemical components / ID: U7F
NameName: [(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid

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Chemical information

Composition
Formula: C13H17F3NO4P / Number of atoms: 39 / Formula weight: 339.247 / Formal charge: 0
Others

8cc4

Type: non-polymer / PDB classification: HETAIN / Three letter code: U7F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8CC4
History
Create componentJan 27, 2023
Initial releaseDec 6, 2023
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

CACTVS 3.385CC(C)C[CH](C(=O)Nc1ccc(cc1)C(F)(F)F)[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC(C)CC(C(=O)Nc1ccc(cc1)C(F)(F)F)P(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385CC(C)C[C@H](C(=O)Nc1ccc(cc1)C(F)(F)F)[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC(C)C[C@H](C(=O)Nc1ccc(cc1)C(F)(F)F)P(=O)(O)O

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InChI

InChI 1.06InChI=1S/C13H17F3NO4P/c1-8(2)7-11(22(19,20)21)12(18)17-10-5-3-9(4-6-10)13(14,15)16/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m1/s1

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InChIKey

InChI 1.06ORECNCXKBPLBGJ-LLVKDONJSA-N

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PDB entries

Showing all 1 items

PDB-8cc4:
LasB bound to phosphonic acid based inhibitor

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