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

Properties Image MNX_ID MNXM173807 reference chebi:127033 formula C28H35N3O3 global charge 0 mol weight 461.606 InChIKey MIUSDJBPCCVFPT-KWXIBIRDSA-N InChI InChI=1S/C28H35N3O3/c1-34-24-14-12-23(13-15-24)29-28(33)30-16-4-5-17-31-25(18-30)27(26(31)19-32)22-10-8-21(9-11-22)20-6-2-3-7-20/h6,8-15,25-27,32H,2-5,7,16-19H2,1H3,(H,29,33)/t25-,26+,27-/m1/s1 SMILES COC1=CC=C(NC(=O)N2CCCCN3[C@H](C2)[C@@H](C2=CC=C(C4=CCCC4)C=C2)[C@@H]3CO)C=C1 MNX internals InChI (mnx) InChI=1/C28H35N3O3/c1-34-24-14-12-23(13-15-24)29-28(33)30-16-4-5-17-31-25(18-30)27(26(31)19-32)22-10-8-21(9-11-22)20-6-2-3-7-20/h6,8-15,25-27,32H,2-5,7,16-19H2,1H3,(H,29,33)/t25-,26+,27-/m1/s1 SMILES (mnx) [CH3:1][O:34][C:24]1=[CH:15][CH:13]=[C:23]([NH:29][C:28]([N:30]2[CH2:16][CH2:4][CH2:5][CH2:17][N:31]3[C@H:25]([CH2:18]2)[C@@H:27]([C:22]2=[CH:11][CH:9]=[C:21]([C:20]4=[CH:6][CH2:2][CH2:3][CH2:7]4)[CH:8]=[CH:10]2)[C@@H:26]3[CH2:19][OH:32])=[O:33])[CH:12]=[CH:14]1

Parent-child relations graph

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