1-[(1S)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone

Properties Image MNX_ID MNXM338911 reference chebi:130871 formula C27H35N3O4 global charge 0 mol weight 465.594 InChIKey BNKASBYUNURLAO-JOCHJYFZSA-N InChI InChI=1S/C27H35N3O4/c1-28-21-12-19(34-2)9-10-20(21)24-25(28)22(13-31)30(26(33)18-5-3-4-6-18)16-27(24)14-29(15-27)23(32)11-17-7-8-17/h9-10,12,17-18,22,31H,3-8,11,13-16H2,1-2H3/t22-/m1/s1 SMILES COC1=CC2=C(C=C1)C1=C([C@@H](CO)N(C(=O)C3CCCC3)CC13CN(C(=O)CC1CC1)C3)N2C MNX internals InChI (mnx) InChI=1/C27H35N3O4/c1-28-21-12-19(34-2)9-10-20(21)24-25(28)22(13-31)30(26(33)18-5-3-4-6-18)16-27(24)14-29(15-27)23(32)11-17-7-8-17/h9-10,12,17-18,22,31H,3-8,11,13-16H2,1-2H3/t22-/m1/s1 SMILES (mnx) [CH3:1][N:28]1[C:21]2=[C:20]([CH:10]=[CH:9][C:19]([O:34][CH3:2])=[CH:12]2)[C:24]2=[C:25]1[C@@H:22]([CH2:13][OH:31])[N:30]([C:26]([CH:18]1[CH2:5][CH2:3][CH2:4][CH2:6]1)=[O:33])[CH2:16][C:27]21[CH2:14][N:29]([C:23]([CH2:11][CH:17]2[CH2:7][CH2:8]2)=[O:32])[CH2:15]1

Parent-child relations graph

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