(8R,9R,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

Properties Image MNX_ID MNXM173565 reference chebi:126117 formula C29H30N4O2 global charge 0 mol weight 466.585 InChIKey XVJXRFRHWWJGLK-HZFUHODCSA-N InChI InChI=1S/C29H30N4O2/c30-18-21-7-6-8-24(17-21)22-11-13-23(14-12-22)28-26-19-32(15-4-5-16-33(26)27(28)20-34)29(35)31-25-9-2-1-3-10-25/h1-3,6-14,17,26-28,34H,4-5,15-16,19-20H2,(H,31,35)/t26-,27-,28+/m0/s1 SMILES N#CC1=CC(C2=CC=C([C@H]3[C@H](CO)N4CCCCN(C(=O)NC5=CC=CC=C5)C[C@@H]34)C=C2)=CC=C1 MNX internals InChI (mnx) InChI=1/C29H30N4O2/c30-18-21-7-6-8-24(17-21)22-11-13-23(14-12-22)28-26-19-32(15-4-5-16-33(26)27(28)20-34)29(35)31-25-9-2-1-3-10-25/h1-3,6-14,17,26-28,34H,4-5,15-16,19-20H2,(H,31,35)/t26-,27-,28+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:9]=[C:25]([N:31]=[C:29]([N:32]2[CH2:15][CH2:4][CH2:5][CH2:16][N:33]3[C@@H:26]([CH2:19]2)[C@@H:28]([C:23]2=[CH:14][CH:12]=[C:22]([C:24]4=[CH:8][CH:6]=[CH:7][C:21]([C:18]#[N:30])=[CH:17]4)[CH:11]=[CH:13]2)[C@@H:27]3[CH2:20][OH:34])[OH:35])[CH:10]=[CH:3]1

Parent-child relations graph

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