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SU6

Summary
Name:3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
Synonyms:SU6668
Formula:C18 H18 N2 O3
Formal charge:0
Formula weight:310.347 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
OpenEye OEToolkits1.7.63-[2,4-dimethyl-5-[(Z)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCc1c(c(nc1C)/C=C3/c2ccccc2NC3=O)C
InChIInChI1.03InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
InChIKeyInChI1.03NHFDRBXTEDBWCZ-ZROIWOOFSA-N
SMILES_CANONICALCACTVS3.370Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
SMILESCACTVS3.370Cc1[nH]c(C=C2C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O
SMILESOpenEye OEToolkits1.7.6Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O

223532

PDB entries from 2024-08-07

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