(8S,9S,10S)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

Properties Image MNX_ID MNXM173920 reference chebi:125866 formula C29H29FN4O2 global charge 0 mol weight 484.575 InChIKey DPVYQVLSTSPGBR-FCEKVYKBSA-N InChI InChI=1S/C29H29FN4O2/c30-24-6-3-7-25(17-24)32-29(36)33-15-1-2-16-34-26(19-33)28(27(34)20-35)23-12-10-21(11-13-23)8-9-22-5-4-14-31-18-22/h3-7,10-14,17-18,26-28,35H,1-2,15-16,19-20H2,(H,32,36)/t26-,27-,28+/m1/s1 SMILES O=C(NC1=CC(F)=CC=C1)N1CCCCN2[C@H](CO)[C@@H](C3=CC=C(C#CC4=CN=CC=C4)C=C3)[C@H]2C1 MNX internals InChI (mnx) InChI=1/C29H29FN4O2/c30-24-6-3-7-25(17-24)32-29(36)33-15-1-2-16-34-26(19-33)28(27(34)20-35)23-12-10-21(11-13-23)8-9-22-5-4-14-31-18-22/h3-7,10-14,17-18,26-28,35H,1-2,15-16,19-20H2,(H,32,36)/t26-,27-,28+/m1/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:16][N:34]2[C@H:26]([CH2:19][N:33]([C:29](=[N:32][C:25]3=[CH:7][CH:3]=[CH:6][C:24]([F:30])=[CH:17]3)[OH:36])[CH2:15]1)[C@H:28]([C:23]1=[CH:13][CH:11]=[C:21]([C:8]#[C:9][C:22]3=[CH:18][N:31]=[CH:14][CH:4]=[CH:5]3)[CH:10]=[CH:12]1)[C@H:27]2[CH2:20][OH:35]

Parent-child relations graph

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