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IFB

Summary
Name:N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE
Formula:C16 H12 F2 I N O4
Formal charge:0
Formula weight:447.172 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine
OpenEye OEToolkits1.5.03-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodo-phenyl]carbonylamino]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Ic2cc(c1ccc(F)cc1F)cc(C(=O)NCCC(=O)O)c2O
SMILES_CANONICALCACTVS3.341OC(=O)CCNC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F
SMILESCACTVS3.341OC(=O)CCNC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O
InChIInChI1.03InChI=1S/C16H12F2INO4/c17-9-1-2-10(12(18)7-9)8-5-11(15(23)13(19)6-8)16(24)20-4-3-14(21)22/h1-2,5-7,23H,3-4H2,(H,20,24)(H,21,22)
InChIKeyInChI1.03YZQVXOZCPWWABX-UHFFFAOYSA-N

219869

PDB entries from 2024-05-15

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