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A1EZ0

Summary
Name:(2~{S})-2-azanyl-3-[(~{R})-(3-fluorophenyl)-(2-phenylmethoxyphenyl)methoxy]propanoic acid
Formula:C23 H22 F N O4
Formal charge:0
Formula weight:395.423 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S})-2-azanyl-3-[(~{R})-(3-fluorophenyl)-(2-phenylmethoxyphenyl)methoxy]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H22FNO4/c24-18-10-6-9-17(13-18)22(29-15-20(25)23(26)27)19-11-4-5-12-21(19)28-14-16-7-2-1-3-8-16/h1-13,20,22H,14-15,25H2,(H,26,27)/t20-,22+/m0/s1
InChIKeyInChI1.06ADUSZEGHFWRTQS-RBBKRZOGSA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CO[C@H](c1cccc(F)c1)c2ccccc2OCc3ccccc3)C(O)=O
SMILESCACTVS3.385N[CH](CO[CH](c1cccc(F)c1)c2ccccc2OCc3ccccc3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2ccccc2[C@@H](c3cccc(c3)F)OC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2ccccc2C(c3cccc(c3)F)OCC(C(=O)O)N

250359

PDB entries from 2026-03-11

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