(3R)-2-ethylsulfonyl-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Properties Image MNX_ID MNXM171990 reference chebi:130958 formula C26H30N4O5S global charge 0 mol weight 510.616 InChIKey HISLUEZGKSFRIL-HSZRJFAPSA-N InChI InChI=1S/C26H30N4O5S/c1-3-36(33,34)30-17-21-16-22(26(32)28-12-14-35-2)29-25(24(21)23(30)9-13-31)20-6-4-5-19(15-20)18-7-10-27-11-8-18/h4-8,10-11,15-16,23,31H,3,9,12-14,17H2,1-2H3,(H,28,32)/t23-/m1/s1 SMILES CCS(=O)(=O)N1CC2=CC(C(=O)NCCOC)=NC(C3=CC=CC(C4=CC=NC=C4)=C3)=C2[C@H]1CCO MNX internals InChI (mnx) InChI=1/C26H30N4O5S/c1-3-36(33,34)30-17-21-16-22(26(32)28-12-14-35-2)29-25(24(21)23(30)9-13-31)20-6-4-5-19(15-20)18-7-10-27-11-8-18/h4-8,10-11,15-16,23,31H,3,9,12-14,17H2,1-2H3,(H,28,32)/t23-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][S:36]([N:30]1[CH2:17][C:21]2=[CH:16][C:22]([C:26]([NH:28][CH2:12][CH2:14][O:35][CH3:2])=[O:32])=[N:29][C:25]([C:20]3=[CH:6][CH:4]=[CH:5][C:19]([C:18]4=[CH:8][CH:11]=[N:27][CH:10]=[CH:7]4)=[CH:15]3)=[C:24]2[C@H:23]1[CH2:9][CH2:13][OH:31])(=[O:33])=[O:34]

Parent-child relations graph

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