Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

J6T

Summary
Name:2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid
Formula:C23 H23 N O4
Formal charge:0
Formula weight:377.433 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H23NO4/c24-21(14-25)19-9-4-8-18(12-19)17-7-3-5-16(11-17)15-28-22-10-2-1-6-20(22)13-23(26)27/h1-12,21,25H,13-15,24H2,(H,26,27)/t21-/m1/s1
InChIKeyInChI1.03XHLXBWRISOPXQB-OAQYLSRUSA-N
SMILES_CANONICALCACTVS3.385N[C@H](CO)c1cccc(c1)c2cccc(COc3ccccc3CC(O)=O)c2
SMILESCACTVS3.385N[CH](CO)c1cccc(c1)c2cccc(COc3ccccc3CC(O)=O)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)C(CO)N

222624

數據於2024-07-17公開中

PDB statisticsPDBj update infoContact PDBjnumon