3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid

Properties Image MNX_ID MNXM150850 reference chebi:75390 formula C27H34ClNO2S global charge 0 mol weight 472.094 InChIKey QAOAOVKBIIKRNL-UHFFFAOYSA-N InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) SMILES CC(C)C1=CC=C2C(=C1)C(SC(C)(C)C)=C(CC(C)(C)C(=O)O)N2CC1=CC=C(Cl)C=C1 MNX internals InChI (mnx) InChI=1/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) SMILES (mnx) [CH3:1][CH:17]([CH3:2])[C:19]1=[CH:14][C:21]2=[C:22]([CH:13]=[CH:10]1)[N:29]([CH2:16][C:18]1=[CH:9][CH:12]=[C:20]([Cl:28])[CH:11]=[CH:8]1)[C:23]([CH2:15][C:27]([CH3:6])([CH3:7])[C:25](=[O:30])[OH:31])=[C:24]2[S:32][C:26]([CH3:3])([CH3:4])[CH3:5]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0