1,3-benzodioxol-5-yl-[(8R,9R,10S)-9-[4-[(3R)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone

Properties Image MNX_ID MNXM177395 reference chebi:126891 formula C27H30N2O5 global charge 0 mol weight 462.546 InChIKey UELXIDKHDZHDNE-MXKZQLQBSA-N InChI InChI=1S/C27H30N2O5/c1-18(31)4-5-19-6-8-20(9-7-19)26-22-15-28(12-2-3-13-29(22)23(26)16-30)27(32)21-10-11-24-25(14-21)34-17-33-24/h6-11,14,18,22-23,26,30-31H,2-3,12-13,15-17H2,1H3/t18-,22+,23-,26-/m1/s1 SMILES C[C@@H](O)C#CC1=CC=C([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4=CC5=C(C=C4)OCO5)C[C@@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C27H30N2O5/c1-18(31)4-5-19-6-8-20(9-7-19)26-22-15-28(12-2-3-13-29(22)23(26)16-30)27(32)21-10-11-24-25(14-21)34-17-33-24/h6-11,14,18,22-23,26,30-31H,2-3,12-13,15-17H2,1H3/t18-,22+,23-,26-/m1/s1 SMILES (mnx) [CH3:1][C@H:18]([C:4]#[C:5][C:19]1=[CH:7][CH:9]=[C:20]([C@@H:26]2[C@@H:22]3[CH2:15][N:28]([C:27]([C:21]4=[CH:14][C:25]5=[C:24]([CH:11]=[CH:10]4)[O:33][CH2:17][O:34]5)=[O:32])[CH2:12][CH2:2][CH2:3][CH2:13][N:29]3[C@@H:23]2[CH2:16][OH:30])[CH:8]=[CH:6]1)[OH:31]

Parent-child relations graph

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