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

Properties Image MNX_ID MNXM338883 reference chebi:128994 formula C20H27N3O6S global charge 0 mol weight 437.518 InChIKey UVZLBCWSISXCLY-MRXNPFEDSA-N InChI InChI=1S/C20H27N3O6S/c1-21-15-7-13(29-3)5-6-14(15)18-19(21)16(8-24)23(17(25)9-28-2)12-20(18)10-22(11-20)30(4,26)27/h5-7,16,24H,8-12H2,1-4H3/t16-/m1/s1 SMILES COCC(=O)N1CC2(CN(S(C)(=O)=O)C2)C2=C([C@H]1CO)N(C)C1=C2C=CC(OC)=C1 MNX internals InChI (mnx) InChI=1/C20H27N3O6S/c1-21-15-7-13(29-3)5-6-14(15)18-19(21)16(8-24)23(17(25)9-28-2)12-20(18)10-22(11-20)30(4,26)27/h5-7,16,24H,8-12H2,1-4H3/t16-/m1/s1 SMILES (mnx) [CH3:1][N:21]1[C:15]2=[C:14]([CH:6]=[CH:5][C:13]([O:29][CH3:3])=[CH:7]2)[C:18]2=[C:19]1[C@@H:16]([CH2:8][OH:24])[N:23]([C:17]([CH2:9][O:28][CH3:2])=[O:25])[CH2:12][C:20]21[CH2:10][N:22]([S:30]([CH3:4])(=[O:26])=[O:27])[CH2:11]1

Parent-child relations graph

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