WIN 55212-2

Properties Image MNX_ID MNXM162150 reference chebi:73295 formula C27H26N2O3 global charge 0 mol weight 426.516 InChIKey HQVHOQAKMCMIIM-HXUWFJFHSA-N InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 SMILES CC1=C(C(=O)C2=CC=CC3=C2C=CC=C3)C2=CC=CC3=C2N1[C@H](CN1CCOCC1)CO3 MNX internals InChI (mnx) InChI=1/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 SMILES (mnx) [CH3:1][C:18]1=[C:25]([C:27]([C:22]2=[CH:9][CH:4]=[CH:7][C:19]3=[CH:6][CH:2]=[CH:3][CH:8]=[C:21]32)=[O:30])[C:23]2=[C:26]3[C:24](=[CH:11][CH:5]=[CH:10]2)[O:32][CH2:17][C@@H:20]([CH2:16][N:28]2[CH2:12][CH2:14][O:31][CH2:15][CH2:13]2)[N:29]13

Parent-child relations graph

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