Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

F8K

Summary
Name:[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
Formula:C23 H27 N2 O2
Formal charge:1
Formula weight:363.473 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3/p+1
InChIKeyInChI1.03SVFQGOYYBWCBTN-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2
SMILESCACTVS3.385COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2
SMILES_CANONICALOpenEye OEToolkits2.0.6C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC
SMILESOpenEye OEToolkits2.0.6C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC

218500

數據於2024-04-17公開中

PDB statisticsPDBj update infoContact PDBjnumon