(3S)-N6-(2,3-dihydro-1H-inden-2-yl)-3-(2-hydroxyethyl)-N2-propan-2-yl-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide

Properties Image MNX_ID MNXM172276 reference chebi:129268 formula C34H35N5O3 global charge 0 mol weight 561.686 InChIKey ICCQWUGLOPHNCE-PMERELPUSA-N InChI InChI=1S/C34H35N5O3/c1-21(2)36-34(42)39-20-27-18-29(33(41)37-28-16-23-7-3-4-8-24(23)17-28)38-32(31(27)30(39)12-14-40)25-10-5-9-22(15-25)26-11-6-13-35-19-26/h3-11,13,15,18-19,21,28,30,40H,12,14,16-17,20H2,1-2H3,(H,36,42)(H,37,41)/t30-/m0/s1 SMILES CC(C)NC(=O)N1CC2=CC(C(=O)NC3CC4=CC=CC=C4C3)=NC(C3=CC=CC(C4=CN=CC=C4)=C3)=C2[C@@H]1CCO MNX internals InChI (mnx) InChI=1/C34H35N5O3/c1-21(2)36-34(42)39-20-27-18-29(33(41)37-28-16-23-7-3-4-8-24(23)17-28)38-32(31(27)30(39)12-14-40)25-10-5-9-22(15-25)26-11-6-13-35-19-26/h3-11,13,15,18-19,21,28,30,40H,12,14,16-17,20H2,1-2H3,(H,36,42)(H,37,41)/t30-/m0/s1 SMILES (mnx) [CH3:1][CH:21]([CH3:2])[N:36]=[C:34]([N:39]1[CH2:20][C:27]2=[CH:18][C:29]([C:33]([NH:37][CH:28]3[CH2:16][C:23]4=[CH:7][CH:3]=[CH:4][CH:8]=[C:24]4[CH2:17]3)=[O:41])=[N:38][C:32]([C:25]3=[CH:10][CH:5]=[CH:9][C:22]([C:26]4=[CH:19][N:35]=[CH:13][CH:6]=[CH:11]4)=[CH:15]3)=[C:31]2[C@@H:30]1[CH2:12][CH2:14][OH:40])[OH:42]

Parent-child relations graph

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