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

Properties Image MNX_ID MNXM169663 reference chebi:127865 formula C27H29FN6O5S global charge 0 mol weight 568.631 InChIKey GSFSHJGWCPBMNU-QFIPXVFZSA-N InChI InChI=1S/C27H29FN6O5S/c1-31-11-23(29-16-31)40(37,38)33-13-27(14-33)15-34(26(36)30-18-6-4-17(28)5-7-18)22(12-35)25-24(27)20-9-8-19(39-3)10-21(20)32(25)2/h4-11,16,22,35H,12-15H2,1-3H3,(H,30,36)/t22-/m0/s1 SMILES COC1=CC2=C(C=C1)C1=C([C@H](CO)N(C(=O)NC3=CC=C(F)C=C3)CC13CN(S(=O)(=O)C1=CN(C)C=N1)C3)N2C MNX internals InChI (mnx) InChI=1/C27H29FN6O5S/c1-31-11-23(29-16-31)40(37,38)33-13-27(14-33)15-34(26(36)30-18-6-4-17(28)5-7-18)22(12-35)25-24(27)20-9-8-19(39-3)10-21(20)32(25)2/h4-11,16,22,35H,12-15H2,1-3H3,(H,30,36)/t22-/m0/s1 SMILES (mnx) [CH3:1][N:31]1[CH:11]=[C:23]([S:40]([N:33]2[CH2:13][C:27]3([CH2:14]2)[CH2:15][N:34]([C:26]([NH:30][C:18]2=[CH:7][CH:5]=[C:17]([F:28])[CH:4]=[CH:6]2)=[O:36])[C@@H:22]([CH2:12][OH:35])[C:25]2=[C:24]3[C:20]3=[C:21]([CH:10]=[C:19]([O:39][CH3:3])[CH:8]=[CH:9]3)[N:32]2[CH3:2])(=[O:37])=[O:38])[N:29]=[CH:16]1

Parent-child relations graph

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