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FG3

Summary
Name:(5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid
Formula:C18 H17 N3 O6 S
Formal charge:0
Formula weight:403.409 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02(5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid
OpenEye OEToolkits1.6.12-[5-methoxy-2-[(5-methylpyridin-2-yl)sulfonylcarbamoyl]indol-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=S(=O)(c1ncc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O
SMILES_CANONICALCACTVS3.352COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3ccc(C)cn3
SMILESCACTVS3.352COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3ccc(C)cn3
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC
SMILESOpenEye OEToolkits1.7.0Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC
InChIInChI1.03InChI=1S/C18H17N3O6S/c1-11-3-6-16(19-9-11)28(25,26)20-18(24)15-8-12-7-13(27-2)4-5-14(12)21(15)10-17(22)23/h3-9H,10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyInChI1.03MOZJRLFDFCKFFT-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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