(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[4-oxanyl(oxo)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

Properties Image MNX_ID MNXM169882 reference chebi:128982 formula C29H33FN4O5 global charge 0 mol weight 536.604 InChIKey CXEJULGNLUYSDT-XMMPIXPASA-N InChI InChI=1S/C29H33FN4O5/c1-32-23-13-21(38-2)6-7-22(23)25-26(32)24(14-35)34(27(36)18-8-10-39-11-9-18)17-29(25)15-33(16-29)28(37)31-20-5-3-4-19(30)12-20/h3-7,12-13,18,24,35H,8-11,14-17H2,1-2H3,(H,31,37)/t24-/m1/s1 SMILES COC1=CC2=C(C=C1)C1=C([C@@H](CO)N(C(=O)C3CCOCC3)CC13CN(C(=O)NC1=CC(F)=CC=C1)C3)N2C MNX internals InChI (mnx) InChI=1/C29H33FN4O5/c1-32-23-13-21(38-2)6-7-22(23)25-26(32)24(14-35)34(27(36)18-8-10-39-11-9-18)17-29(25)15-33(16-29)28(37)31-20-5-3-4-19(30)12-20/h3-7,12-13,18,24,35H,8-11,14-17H2,1-2H3,(H,31,37)/t24-/m1/s1 SMILES (mnx) [CH3:1][N:32]1[C:23]2=[C:22]([CH:7]=[CH:6][C:21]([O:38][CH3:2])=[CH:13]2)[C:25]2=[C:26]1[C@@H:24]([CH2:14][OH:35])[N:34]([C:27]([CH:18]1[CH2:8][CH2:10][O:39][CH2:11][CH2:9]1)=[O:36])[CH2:17][C:29]21[CH2:15][N:33]([C:28](=[N:31][C:20]2=[CH:5][CH:3]=[CH:4][C:19]([F:30])=[CH:12]2)[OH:37])[CH2:16]1

Parent-child relations graph

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