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IOK

Summary
Name:N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
Formula:C26 H26 N2 O2
Formal charge:0
Formula weight:398.497 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(1R)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1H-indol-3-yl)acetamide
OpenEye OEToolkits1.5.0N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-(2-phenyl-1H-indol-3-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC(C)CCc1ccc(O)cc1)Cc3c2ccccc2nc3c4ccccc4
SMILES_CANONICALCACTVS3.341C[C@H](CCc1ccc(O)cc1)NC(=O)Cc2c([nH]c3ccccc23)c4ccccc4
SMILESCACTVS3.341C[CH](CCc1ccc(O)cc1)NC(=O)Cc2c([nH]c3ccccc23)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4
SMILESOpenEye OEToolkits1.5.0CC(CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4
InChIInChI1.03InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m1/s1
InChIKeyInChI1.03APLJSSOXDWUNGV-GOSISDBHSA-N

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PDB entries from 2024-11-06

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