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V6Y

Summary
Name:3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid
Formula:C29 H21 N O6
Formal charge:0
Formula weight:479.48 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid
OpenEye OEToolkits2.0.73-[3-[[3-(4-carboxyphenoxy)phenyl]methoxy]phenyl]-1~{H}-indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2cc1nc(C(=O)O)c(c1cc2)c3cc(ccc3)OCc4cccc(c4)Oc5ccc(cc5)C(O)=O
InChIInChI1.03InChI=1S/C29H21NO6/c31-28(32)19-11-13-21(14-12-19)36-23-8-3-5-18(15-23)17-35-22-7-4-6-20(16-22)26-24-9-1-2-10-25(24)30-27(26)29(33)34/h1-16,30H,17H2,(H,31,32)(H,33,34)
InChIKeyInChI1.03PSBGQCWQSZIAEZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1[nH]c2ccccc2c1c3cccc(OCc4cccc(Oc5ccc(cc5)C(O)=O)c4)c3
SMILESCACTVS3.385OC(=O)c1[nH]c2ccccc2c1c3cccc(OCc4cccc(Oc5ccc(cc5)C(O)=O)c4)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)OCc4cccc(c4)Oc5ccc(cc5)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)OCc4cccc(c4)Oc5ccc(cc5)C(=O)O

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건을2024-07-10부터공개중

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