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

Properties Image MNX_ID MNXM173815 reference chebi:126126 formula C26H34N4O2 global charge 0 mol weight 434.584 InChIKey RPTGGNGSRVNLFR-DSNGMDLFSA-N InChI InChI=1S/C26H34N4O2/c31-18-24-25(20-11-9-19(10-12-20)21-6-5-13-27-16-21)23-17-29(14-3-4-15-30(23)24)26(32)28-22-7-1-2-8-22/h5-6,9-13,16,22-25,31H,1-4,7-8,14-15,17-18H2,(H,28,32)/t23-,24+,25-/m1/s1 SMILES O=C(NC1CCCC1)N1CCCCN2[C@H](C1)[C@@H](C1=CC=C(C3=CN=CC=C3)C=C1)[C@@H]2CO MNX internals InChI (mnx) InChI=1/C26H34N4O2/c31-18-24-25(20-11-9-19(10-12-20)21-6-5-13-27-16-21)23-17-29(14-3-4-15-30(23)24)26(32)28-22-7-1-2-8-22/h5-6,9-13,16,22-25,31H,1-4,7-8,14-15,17-18H2,(H,28,32)/t23-,24+,25-/m1/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:8][CH:22]([N:28]=[C:26]([N:29]2[CH2:14][CH2:3][CH2:4][CH2:15][N:30]3[C@H:23]([CH2:17]2)[C@@H:25]([C:20]2=[CH:12][CH:10]=[C:19]([C:21]4=[CH:16][N:27]=[CH:13][CH:5]=[CH:6]4)[CH:9]=[CH:11]2)[C@@H:24]3[CH2:18][OH:31])[OH:32])[CH2:7]1

Parent-child relations graph

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