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AXY

Summary
Name:(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid
Formula:C27 H22 O3
Formal charge:0
Formula weight:394.462 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid
OpenEye OEToolkits1.7.6(2S)-2-(4-phenylphenoxy)-3-(4-phenylphenyl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc4ccc(c3ccccc3)cc4
InChIInChI1.03InChI=1S/C27H22O3/c28-27(29)26(19-20-11-13-23(14-12-20)21-7-3-1-4-8-21)30-25-17-15-24(16-18-25)22-9-5-2-6-10-22/h1-18,26H,19H2,(H,28,29)/t26-/m0/s1
InChIKeyInChI1.03DGMLYRGMJHVKNC-SANMLTNESA-N
SMILES_CANONICALCACTVS3.370OC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)Oc3ccc(cc3)c4ccccc4
SMILESCACTVS3.370OC(=O)[CH](Cc1ccc(cc1)c2ccccc2)Oc3ccc(cc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)Oc3ccc(cc3)c4ccccc4
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2ccc(cc2)CC(C(=O)O)Oc3ccc(cc3)c4ccccc4

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PDB entries from 2024-07-10

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