(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Properties Image MNX_ID MNXM172224 reference chebi:103077 formula C31H38N4O4S global charge 0 mol weight 562.736 InChIKey WMNVIWBOXVWRSQ-YKPJRVAWSA-N InChI InChI=1S/C31H38N4O4S/c1-31(2,3)40(39)35-19-24-18-25(30(38)34(6)7)32-28(27(24)26(35)15-16-36)23-10-8-9-22(17-23)20-11-13-21(14-12-20)29(37)33(4)5/h8-14,17-18,26,36H,15-16,19H2,1-7H3/t26-,40-/m0/s1 SMILES CN(C)C(=O)C1=CC=C(C2=CC(C3=C4C(=CC(C(=O)N(C)C)=N3)CN([S@@](=O)C(C)(C)C)[C@H]4CCO)=CC=C2)C=C1 MNX internals InChI (mnx) InChI=1/C31H38N4O4S/c1-31(2,3)40(39)35-19-24-18-25(30(38)34(6)7)32-28(27(24)26(35)15-16-36)23-10-8-9-22(17-23)20-11-13-21(14-12-20)29(37)33(4)5/h8-14,17-18,26,36H,15-16,19H2,1-7H3/t26-,40-/m0/s1 SMILES (mnx) [CH3:1][C:31]([CH3:2])([CH3:3])[S@@:40]([N:35]1[CH2:19][C:24]2=[CH:18][C:25]([C:30]([N:34]([CH3:6])[CH3:7])=[O:38])=[N:32][C:28]([C:23]3=[CH:10][CH:8]=[CH:9][C:22]([C:20]4=[CH:12][CH:14]=[C:21]([C:29]([N:33]([CH3:4])[CH3:5])=[O:37])[CH:13]=[CH:11]4)=[CH:17]3)=[C:27]2[C@@H:26]1[CH2:15][CH2:16][OH:36])=[O:39]

Parent-child relations graph

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