(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Properties Image MNX_ID MNXM172197 reference chebi:97418 formula C32H35N5O3S global charge 0 mol weight 569.731 InChIKey UNXBJJPJSXSVQI-VELXTTODSA-N InChI InChI=1S/C32H35N5O3S/c1-32(2,3)41(40)37-21-26-20-27(31(39)35-17-9-22-7-13-33-14-8-22)36-30(29(26)28(37)12-18-38)25-6-4-5-24(19-25)23-10-15-34-16-11-23/h4-8,10-11,13-16,19-20,28,38H,9,12,17-18,21H2,1-3H3,(H,35,39)/t28-,41-/m0/s1 SMILES CC(C)(C)[S@](=O)N1CC2=CC(C(=O)NCCC3=CC=NC=C3)=NC(C3=CC=CC(C4=CC=NC=C4)=C3)=C2[C@@H]1CCO MNX internals InChI (mnx) InChI=1/C32H35N5O3S/c1-32(2,3)41(40)37-21-26-20-27(31(39)35-17-9-22-7-13-33-14-8-22)36-30(29(26)28(37)12-18-38)25-6-4-5-24(19-25)23-10-15-34-16-11-23/h4-8,10-11,13-16,19-20,28,38H,9,12,17-18,21H2,1-3H3,(H,35,39)/t28-,41-/m0/s1 SMILES (mnx) [CH3:1][C:32]([CH3:2])([CH3:3])[S@@:41]([N:37]1[CH2:21][C:26]2=[CH:20][C:27]([C:31]([NH:35][CH2:17][CH2:9][C:22]3=[CH:8][CH:14]=[N:33][CH:13]=[CH:7]3)=[O:39])=[N:36][C:30]([C:25]3=[CH:6][CH:4]=[CH:5][C:24]([C:23]4=[CH:11][CH:16]=[N:34][CH:15]=[CH:10]4)=[CH:19]3)=[C:29]2[C@@H:28]1[CH2:12][CH2:18][OH:38])=[O:40]

Parent-child relations graph

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