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

Properties Image MNX_ID MNXM171947 reference chebi:99277 formula C29H35N3O4S global charge 0 mol weight 521.683 InChIKey QYSQYMZBXYWZNF-TWEZTRHFSA-N InChI InChI=1S/C29H35N3O4S/c1-29(2,3)37(35)32-18-22-17-24(28(34)31(4)5)30-27(26(22)25(32)14-15-33)21-9-7-8-20(16-21)19-10-12-23(36-6)13-11-19/h7-13,16-17,25,33H,14-15,18H2,1-6H3/t25-,37-/m1/s1 SMILES COC1=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/C29H35N3O4S/c1-29(2,3)37(35)32-18-22-17-24(28(34)31(4)5)30-27(26(22)25(32)14-15-33)21-9-7-8-20(16-21)19-10-12-23(36-6)13-11-19/h7-13,16-17,25,33H,14-15,18H2,1-6H3/t25-,37-/m1/s1 SMILES (mnx) [CH3:1][C:29]([CH3:2])([CH3:3])[S@:37]([N:32]1[CH2:18][C:22]2=[CH:17][C:24]([C:28]([N:31]([CH3:4])[CH3:5])=[O:34])=[N:30][C:27]([C:21]3=[CH:9][CH:7]=[CH:8][C:20]([C:19]4=[CH:11][CH:13]=[C:23]([O:36][CH3:6])[CH:12]=[CH:10]4)=[CH:16]3)=[C:26]2[C@H:25]1[CH2:14][CH2:15][OH:33])=[O:35]

Parent-child relations graph

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