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APL

Summary
Name:N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE
Formula:C12 H14 F3 N O3
Formal charge:0
Formula weight:277.24 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(1S)-1-benzyl-3,3,3-trifluoro-2,2-dihydroxypropyl]acetamide
OpenEye OEToolkits1.5.0N-[(2S)-4,4,4-trifluoro-3,3-dihydroxy-1-phenyl-butan-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)C(O)(O)C(NC(=O)C)Cc1ccccc1
SMILES_CANONICALCACTVS3.341CC(=O)N[C@@H](Cc1ccccc1)C(O)(O)C(F)(F)F
SMILESCACTVS3.341CC(=O)N[CH](Cc1ccccc1)C(O)(O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=O)N[C@@H](Cc1ccccc1)C(C(F)(F)F)(O)O
SMILESOpenEye OEToolkits1.5.0CC(=O)NC(Cc1ccccc1)C(C(F)(F)F)(O)O
InChIInChI1.03InChI=1S/C12H14F3NO3/c1-8(17)16-10(11(18,19)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10,18-19H,7H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyInChI1.03NETPVFJEHOGNPJ-JTQLQIEISA-N

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PDB entries from 2024-07-31

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