1-[(8R,9S,10S)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-4-ylethanone

Properties Image MNX_ID MNXM340696 reference chebi:128258 formula C29H33N3O3 global charge 0 mol weight 471.601 InChIKey GNCMCFQFNIRUHR-GKRYNVPLSA-N InChI InChI=1S/C29H33N3O3/c1-35-25-10-8-23(9-11-25)22-4-6-24(7-5-22)29-26-19-31(16-2-3-17-32(26)27(29)20-33)28(34)18-21-12-14-30-15-13-21/h4-15,26-27,29,33H,2-3,16-20H2,1H3/t26-,27+,29-/m0/s1 SMILES COC1=CC=C(C2=CC=C([C@@H]3[C@@H](CO)N4CCCCN(C(=O)CC5=CC=NC=C5)C[C@@H]34)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C29H33N3O3/c1-35-25-10-8-23(9-11-25)22-4-6-24(7-5-22)29-26-19-31(16-2-3-17-32(26)27(29)20-33)28(34)18-21-12-14-30-15-13-21/h4-15,26-27,29,33H,2-3,16-20H2,1H3/t26-,27+,29-/m0/s1 SMILES (mnx) [CH3:1][O:35][C:25]1=[CH:11][CH:9]=[C:23]([C:22]2=[CH:5][CH:7]=[C:24]([C@H:29]3[C@@H:26]4[CH2:19][N:31]([C:28]([CH2:18][C:21]5=[CH:13][CH:15]=[N:30][CH:14]=[CH:12]5)=[O:34])[CH2:16][CH2:2][CH2:3][CH2:17][N:32]4[C@@H:27]3[CH2:20][OH:33])[CH:6]=[CH:4]2)[CH:8]=[CH:10]1

Parent-child relations graph

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