1-[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(3-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-cyclopropylethanone

Properties Image MNX_ID MNXM339884 reference chebi:130330 formula C26H28N2O3 global charge 0 mol weight 416.521 InChIKey HMQLFODRTSGABM-NZJKTDFXSA-N InChI InChI=1S/C26H28N2O3/c1-31-20-4-2-3-17(13-20)5-6-18-9-10-23-22(14-18)26-21(24(16-29)27-23)11-12-28(26)25(30)15-19-7-8-19/h2-4,9-10,13-14,19,21,24,26-27,29H,7-8,11-12,15-16H2,1H3/t21-,24+,26-/m0/s1 SMILES COC1=CC=CC(C#CC2=CC3=C(C=C2)N[C@H](CO)[C@@H]2CCN(C(=O)CC4CC4)[C@H]32)=C1 MNX internals InChI (mnx) InChI=1/C26H28N2O3/c1-31-20-4-2-3-17(13-20)5-6-18-9-10-23-22(14-18)26-21(24(16-29)27-23)11-12-28(26)25(30)15-19-7-8-19/h2-4,9-10,13-14,19,21,24,26-27,29H,7-8,11-12,15-16H2,1H3/t21-,24+,26-/m0/s1 SMILES (mnx) [CH3:1][O:31][C:20]1=[CH:4][CH:2]=[CH:3][C:17]([C:5]#[C:6][C:18]2=[CH:14][C:22]3=[C:23]([CH:10]=[CH:9]2)[NH:27][C@H:24]([CH2:16][OH:29])[C@@H:21]2[CH2:11][CH2:12][N:28]([C:25]([CH2:15][CH:19]4[CH2:7][CH2:8]4)=[O:30])[C@@H:26]23)=[CH:13]1

Parent-child relations graph

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