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FG5

Summary
Name:(2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid
Formula:C20 H18 N2 O6 S
Formal charge:0
Formula weight:414.432 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02(2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid
OpenEye OEToolkits1.6.12-[2-[(1-benzofuran-2-ylsulfonylamino)methyl]-5-methoxy-indol-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(O)Cn1c4ccc(OC)cc4cc1CNS(=O)(=O)c3oc2ccccc2c3
SMILES_CANONICALCACTVS3.352COc1ccc2n(CC(O)=O)c(CN[S](=O)(=O)c3oc4ccccc4c3)cc2c1
SMILESCACTVS3.352COc1ccc2n(CC(O)=O)c(CN[S](=O)(=O)c3oc4ccccc4c3)cc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1ccc2c(c1)cc(n2CC(=O)O)CNS(=O)(=O)c3cc4ccccc4o3
SMILESOpenEye OEToolkits1.7.0COc1ccc2c(c1)cc(n2CC(=O)O)CNS(=O)(=O)c3cc4ccccc4o3
InChIInChI1.03InChI=1S/C20H18N2O6S/c1-27-16-6-7-17-14(9-16)8-15(22(17)12-19(23)24)11-21-29(25,26)20-10-13-4-2-3-5-18(13)28-20/h2-10,21H,11-12H2,1H3,(H,23,24)
InChIKeyInChI1.03WZHKFPDZEVEAJG-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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