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

Properties Image MNX_ID MNXM173577 reference chebi:128638 formula C26H31N3O3 global charge 0 mol weight 433.552 InChIKey ONYAVZAYLWWDRV-HEGQMBHGSA-N InChI InChI=1S/C26H31N3O3/c1-19(31)9-10-20-11-13-21(14-12-20)25-23-17-28(15-5-6-16-29(23)24(25)18-30)26(32)27-22-7-3-2-4-8-22/h2-4,7-8,11-14,19,23-25,30-31H,5-6,15-18H2,1H3,(H,27,32)/t19-,23+,24-,25-/m1/s1 SMILES C[C@@H](O)C#CC1=CC=C([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4=CC=CC=C4)C[C@@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C26H31N3O3/c1-19(31)9-10-20-11-13-21(14-12-20)25-23-17-28(15-5-6-16-29(23)24(25)18-30)26(32)27-22-7-3-2-4-8-22/h2-4,7-8,11-14,19,23-25,30-31H,5-6,15-18H2,1H3,(H,27,32)/t19-,23+,24-,25-/m1/s1 SMILES (mnx) [CH3:1][C@H:19]([C:9]#[C:10][C:20]1=[CH:12][CH:14]=[C:21]([C@@H:25]2[C@@H:23]3[CH2:17][N:28]([C:26](=[N:27][C:22]4=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]4)[OH:32])[CH2:15][CH2:5][CH2:6][CH2:16][N:29]3[C@@H:24]2[CH2:18][OH:30])[CH:13]=[CH:11]1)[OH:31]

Parent-child relations graph

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