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FTY

Summary
Name:DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE
Formula:C10 H12 F2 N O5 P
Formal charge:0
Formula weight:295.177 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[difluoro(phosphono)methyl]-L-phenylalanine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-[4-(difluoro-phosphono-methyl)phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(c1ccc(cc1)CC(N)C(=O)O)P(=O)(O)O
SMILES_CANONICALCACTVS3.341N[C@@H](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(O)=O
SMILESCACTVS3.341N[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CC(C(=O)O)N)C(F)(F)P(=O)(O)O
InChIInChI1.03InChI=1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1
InChIKeyInChI1.03HRDUMKHDIFUQGB-QMMMGPOBSA-N

221716

PDB entries from 2024-06-26

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