(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Properties Image MNX_ID MNXM171960 reference chebi:100194 formula C35H36N4O4S global charge 0 mol weight 608.764 InChIKey ARPJWHDFQDPYLK-VRESAINUSA-N InChI InChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-24-9-6-13-29(17-24)43-4)38-33(32(28)31(39)14-15-40)27-12-7-11-26(18-27)25-10-5-8-23(16-25)20-36/h5-13,16-19,31,40H,14-15,21-22H2,1-4H3,(H,37,41)/t31-,44-/m1/s1 SMILES COC1=CC=CC(CNC(=O)C2=NC(C3=CC=CC(C4=CC=CC(C#N)=C4)=C3)=C3C(=C2)CN([S@](=O)C(C)(C)C)[C@@H]3CCO)=C1 MNX internals InChI (mnx) InChI=1/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-24-9-6-13-29(17-24)43-4)38-33(32(28)31(39)14-15-40)27-12-7-11-26(18-27)25-10-5-8-23(16-25)20-36/h5-13,16-19,31,40H,14-15,21-22H2,1-4H3,(H,37,41)/t31-,44-/m1/s1 SMILES (mnx) [CH3:1][C:35]([CH3:2])([CH3:3])[S@:44]([N:39]1[CH2:22][C:28]2=[CH:19][C:30]([C:34]([NH:37][CH2:21][C:24]3=[CH:17][C:29]([O:43][CH3:4])=[CH:13][CH:6]=[CH:9]3)=[O:41])=[N:38][C:33]([C:27]3=[CH:12][CH:7]=[CH:11][C:26]([C:25]4=[CH:10][CH:5]=[CH:8][C:23]([C:20]#[N:36])=[CH:16]4)=[CH:18]3)=[C:32]2[C@H:31]1[CH2:14][CH2:15][OH:40])=[O:42]

Parent-child relations graph

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