(1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

Properties Image MNX_ID MNXM169850 reference chebi:126790 formula C30H35N5O6 global charge 0 mol weight 561.639 InChIKey JYXKBTOWIVBRMW-RUZDIDTESA-N InChI InChI=1S/C30H35N5O6/c1-17-27(18(2)41-33-17)32-29(37)35-15-30(16-35)14-34(12-19-8-21(39-4)10-22(9-19)40-5)25(13-36)28-26(30)23-7-6-20(38-3)11-24(23)31-28/h6-11,25,31,36H,12-16H2,1-5H3,(H,32,37)/t25-/m1/s1 SMILES COC1=CC(CN2CC3(CN(C(=O)NC4=C(C)ON=C4C)C3)C3=C(NC4=C3C=CC(OC)=C4)[C@H]2CO)=CC(OC)=C1 MNX internals InChI (mnx) InChI=1/C30H35N5O6/c1-17-27(18(2)41-33-17)32-29(37)35-15-30(16-35)14-34(12-19-8-21(39-4)10-22(9-19)40-5)25(13-36)28-26(30)23-7-6-20(38-3)11-24(23)31-28/h6-11,25,31,36H,12-16H2,1-5H3,(H,32,37)/t25-/m1/s1 SMILES (mnx) [CH3:1][C:17]1=[N:33][O:41][C:18]([CH3:2])=[C:27]1[N:32]=[C:29]([N:35]1[CH2:15][C:30]2([CH2:14][N:34]([CH2:12][C:19]3=[CH:8][C:21]([O:39][CH3:4])=[CH:10][C:22]([O:40][CH3:5])=[CH:9]3)[C@H:25]([CH2:13][OH:36])[C:28]3=[C:26]2[C:23]2=[C:24]([CH:11]=[C:20]([O:38][CH3:3])[CH:6]=[CH:7]2)[NH:31]3)[CH2:16]1)[OH:37]

Parent-child relations graph

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