(2R)-4-[4-[(8R,9R,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol

Properties Image MNX_ID MNXM170349 reference chebi:129194 formula C25H36N2O3 global charge 0 mol weight 412.574 InChIKey BFTPGHPTOTYTCQ-HEGQMBHGSA-N InChI InChI=1S/C25H36N2O3/c1-19(29)4-5-20-6-8-22(9-7-20)25-23-17-26(16-21-10-14-30-15-11-21)12-2-3-13-27(23)24(25)18-28/h6-9,19,21,23-25,28-29H,2-3,10-18H2,1H3/t19-,23+,24-,25-/m1/s1 SMILES C[C@@H](O)C#CC1=CC=C([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C25H36N2O3/c1-19(29)4-5-20-6-8-22(9-7-20)25-23-17-26(16-21-10-14-30-15-11-21)12-2-3-13-27(23)24(25)18-28/h6-9,19,21,23-25,28-29H,2-3,10-18H2,1H3/t19-,23+,24-,25-/m1/s1 SMILES (mnx) [CH3:1][C@H:19]([C:4]#[C:5][C:20]1=[CH:7][CH:9]=[C:22]([C@@H:25]2[C@@H:23]3[CH2:17][N:26]([CH2:16][CH:21]4[CH2:10][CH2:14][O:30][CH2:15][CH2:11]4)[CH2:12][CH2:2][CH2:3][CH2:13][N:27]3[C@@H:24]2[CH2:18][OH:28])[CH:8]=[CH:6]1)[OH:29]

Parent-child relations graph

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