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

Properties Image MNX_ID MNXM171984 reference chebi:97572 formula C35H44N4O4S global charge 0 mol weight 616.828 InChIKey YEVZUBCSLLXCKN-FSZSIQPOSA-N InChI InChI=1S/C35H44N4O4S/c1-35(2,3)44(43)39-22-27-21-29(33(41)36-28-15-7-6-8-16-28)37-32(31(27)30(39)17-18-40)25-13-9-11-23(19-25)24-12-10-14-26(20-24)34(42)38(4)5/h9-14,19-21,28,30,40H,6-8,15-18,22H2,1-5H3,(H,36,41)/t30-,44-/m1/s1 SMILES CN(C)C(=O)C1=CC=CC(C2=CC(C3=C4C(=CC(C(=O)NC5CCCCC5)=N3)CN([S@](=O)C(C)(C)C)[C@@H]4CCO)=CC=C2)=C1 MNX internals InChI (mnx) InChI=1/C35H44N4O4S/c1-35(2,3)44(43)39-22-27-21-29(33(41)36-28-15-7-6-8-16-28)37-32(31(27)30(39)17-18-40)25-13-9-11-23(19-25)24-12-10-14-26(20-24)34(42)38(4)5/h9-14,19-21,28,30,40H,6-8,15-18,22H2,1-5H3,(H,36,41)/t30-,44-/m1/s1 SMILES (mnx) [CH3:1][C:35]([CH3:2])([CH3:3])[S@:44]([N:39]1[CH2:22][C:27]2=[CH:21][C:29]([C:33]([NH:36][CH:28]3[CH2:15][CH2:7][CH2:6][CH2:8][CH2:16]3)=[O:41])=[N:37][C:32]([C:25]3=[CH:13][CH:9]=[CH:11][C:23]([C:24]4=[CH:20][C:26]([C:34]([N:38]([CH3:4])[CH3:5])=[O:42])=[CH:14][CH:10]=[CH:12]4)=[CH:19]3)=[C:31]2[C@H:30]1[CH2:17][CH2:18][OH:40])=[O:43]

Parent-child relations graph

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