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FF8

Summary
Name:(2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid
Formula:C22 H26 F N O4
Formal charge:0
Formula weight:387.445 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid
OpenEye OEToolkits2.0.6(2~{S})-2-[3-fluoranyl-4-[3-(hexylcarbamoyloxy)phenyl]phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(c(ccc(c1)C(C(O)=O)C)c2cc(ccc2)OC(=O)NCCCCCC)F
InChIInChI1.03InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1
InChIKeyInChI1.03USQOVYLRWBOSQC-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[C@H](C)C(O)=O
SMILESCACTVS3.385CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[CH](C)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[C@H](C)C(=O)O
SMILESOpenEye OEToolkits2.0.6CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)C(C)C(=O)O

218853

건을2024-04-24부터공개중

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