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

Properties Image MNX_ID MNXM338888 reference chebi:127786 formula C23H28N4O4S global charge 0 mol weight 456.568 InChIKey ATQFYPXUBHFLNM-GOSISDBHSA-N InChI InChI=1S/C23H28N4O4S/c1-25-17-8-15(31-3)4-5-16(17)21-22(25)18(10-28)26(9-19-24-6-7-32-19)12-23(21)13-27(14-23)20(29)11-30-2/h4-8,18,28H,9-14H2,1-3H3/t18-/m1/s1 SMILES COCC(=O)N1CC2(C1)CN(CC1=NC=CS1)[C@H](CO)C1=C2C2=C(C=C(OC)C=C2)N1C MNX internals InChI (mnx) InChI=1/C23H28N4O4S/c1-25-17-8-15(31-3)4-5-16(17)21-22(25)18(10-28)26(9-19-24-6-7-32-19)12-23(21)13-27(14-23)20(29)11-30-2/h4-8,18,28H,9-14H2,1-3H3/t18-/m1/s1 SMILES (mnx) [CH3:1][N:25]1[C:17]2=[C:16]([CH:5]=[CH:4][C:15]([O:31][CH3:3])=[CH:8]2)[C:21]2=[C:22]1[C@@H:18]([CH2:10][OH:28])[N:26]([CH2:9][C:19]1=[N:24][CH:6]=[CH:7][S:32]1)[CH2:12][C:23]21[CH2:13][N:27]([C:20]([CH2:11][O:30][CH3:2])=[O:29])[CH2:14]1

Parent-child relations graph

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