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1CT

Summary
Name:[2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
Formula:C15 H13 F3 N O5 P
Formal charge:0
Formula weight:375.236 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
OpenEye OEToolkits1.7.2[2-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethoxy]phenyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1ccccc1NC(=O)COc2ccccc2P(=O)(O)O
InChIInChI1.03InChI=1S/C15H13F3NO5P/c16-15(17,18)10-5-1-2-6-11(10)19-14(20)9-24-12-7-3-4-8-13(12)25(21,22)23/h1-8H,9H2,(H,19,20)(H2,21,22,23)
InChIKeyInChI1.03GAFDGQORYPFURN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2C(F)(F)F
SMILESCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O
SMILESOpenEye OEToolkits1.7.2c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O

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PDB entries from 2024-08-07

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