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

Properties Image MNX_ID MNXM173699 reference chebi:130572 formula C25H35N3O3 global charge 0 mol weight 425.573 InChIKey LNDCJTLPGUEJLJ-VXNXHJTFSA-N InChI InChI=1S/C25H35N3O3/c1-31-16-6-7-19-10-12-20(13-11-19)24-22-17-27(25(30)26-21-8-2-3-9-21)14-4-5-15-28(22)23(24)18-29/h10-13,21-24,29H,2-5,8-9,14-18H2,1H3,(H,26,30)/t22-,23+,24-/m0/s1 SMILES COCC#CC1=CC=C([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C25H35N3O3/c1-31-16-6-7-19-10-12-20(13-11-19)24-22-17-27(25(30)26-21-8-2-3-9-21)14-4-5-15-28(22)23(24)18-29/h10-13,21-24,29H,2-5,8-9,14-18H2,1H3,(H,26,30)/t22-,23+,24-/m0/s1 SMILES (mnx) [CH3:1][O:31][CH2:16][C:6]#[C:7][C:19]1=[CH:11][CH:13]=[C:20]([C@H:24]2[C@@H:22]3[CH2:17][N:27]([C:25](=[N:26][CH:21]4[CH2:8][CH2:2][CH2:3][CH2:9]4)[OH:30])[CH2:14][CH2:4][CH2:5][CH2:15][N:28]3[C@@H:23]2[CH2:18][OH:29])[CH:12]=[CH:10]1

Parent-child relations graph

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