(1S,5R)-N-(1,3-benzodioxol-5-yl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide

Properties Image MNX_ID MNXM170043 reference chebi:126936 formula C26H25N3O4 global charge 0 mol weight 443.503 InChIKey SBDAHCSXNULONN-OFFJZUQKSA-N InChI InChI=1S/C26H25N3O4/c1-31-20-4-2-3-18(11-20)16-5-7-17(8-6-16)25-21-13-27-14-22(25)29(21)26(30)28-19-9-10-23-24(12-19)33-15-32-23/h2-12,21-22,25,27H,13-15H2,1H3,(H,28,30)/t21-,22+,25? SMILES COC1=CC=CC(C2=CC=C(C3[C@H]4CNC[C@@H]3N4C(=O)NC3=CC4=C(C=C3)OCO4)C=C2)=C1 MNX internals InChI (mnx) InChI=1/C26H25N3O4/c1-31-20-4-2-3-18(11-20)16-5-7-17(8-6-16)25-21-13-27-14-22(25)29(21)26(30)28-19-9-10-23-24(12-19)33-15-32-23/h2-12,21-22,25,27H,13-15H2,1H3,(H,28,30)/t21-,22+,25? SMILES (mnx) [CH3:1][O:31][C:20]1=[CH:4][CH:2]=[CH:3][C:18]([C:16]2=[CH:6][CH:8]=[C:17]([CH:25]3[C@@H:21]4[CH2:13][NH:27][CH2:14][C@H:22]3[N:29]4[C:26](=[N:28][C:19]3=[CH:12][C:24]4=[C:23]([CH:10]=[CH:9]3)[O:32][CH2:15][O:33]4)[OH:30])[CH:7]=[CH:5]2)=[CH:11]1

Parent-child relations graph

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