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WFP

Summary
Name:3,5-difluoro-L-phenylalanine
Formula:C9 H9 F2 N O2
Formal charge:0
Formula weight:201.17 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.1(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352N[C@@H](Cc1cc(F)cc(F)c1)C(O)=O
SMILESCACTVS3.352N[CH](Cc1cc(F)cc(F)c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1c(cc(cc1F)F)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.0c1c(cc(cc1F)F)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
InChIKeyInChI1.03QFGMPXZFCIHYIR-QMMMGPOBSA-N

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数据于2024-07-24公开中

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