1-[(1R)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone

Properties Image MNX_ID MNXM338763 reference chebi:126279 formula C25H33N3O4 global charge 0 mol weight 439.556 InChIKey ILTDSSRDSAMYCJ-FQEVSTJZSA-N InChI InChI=1S/C25H33N3O4/c1-3-6-21(30)27-13-25(14-27)15-28(24(31)16-7-4-5-8-16)20(12-29)23-22(25)18-10-9-17(32-2)11-19(18)26-23/h9-11,16,20,26,29H,3-8,12-15H2,1-2H3/t20-/m0/s1 SMILES CCCC(=O)N1CC2(C1)CN(C(=O)C1CCCC1)[C@@H](CO)C1=C2C2=C(C=C(OC)C=C2)N1 MNX internals InChI (mnx) InChI=1/C25H33N3O4/c1-3-6-21(30)27-13-25(14-27)15-28(24(31)16-7-4-5-8-16)20(12-29)23-22(25)18-10-9-17(32-2)11-19(18)26-23/h9-11,16,20,26,29H,3-8,12-15H2,1-2H3/t20-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:6][C:21]([N:27]1[CH2:13][C:25]2([CH2:14]1)[CH2:15][N:28]([C:24]([CH:16]1[CH2:7][CH2:4][CH2:5][CH2:8]1)=[O:31])[C@@H:20]([CH2:12][OH:29])[C:23]1=[C:22]2[C:18]2=[C:19]([CH:11]=[C:17]([O:32][CH3:2])[CH:9]=[CH:10]2)[NH:26]1)=[O:30]

Parent-child relations graph

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