nirogacestat dihydrobromide

Properties Image MNX_ID MNXM1564788 reference chebi:229218 formula C27H43Br2F2N5O global charge 0 mol weight 651.479 InChIKey LXEYYZYDWLAIPW-KBVFCZPLSA-N InChI InChI=1S/C27H41F2N5O.2BrH/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4;;/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35);2*1H/t20-,23-;;/m0../s1 SMILES Br.Br.CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C(C)(C)CNCC(C)(C)C)C=N1 MNX internals InChI (mnx) InChI=1/C27H41F2N5O.2BrH/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4;;/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35);2*1H/t20-,23-;;/m0../s1 SMILES (mnx) [BrH:36].[BrH:37].[CH3:1][CH2:7][CH2:8][C@@H:23]([C:25](=[N:33][C:24]1=[CH:14][N:34]([C:27]([CH3:5])([CH3:6])[CH2:16][NH:30][CH2:15][C:26]([CH3:2])([CH3:3])[CH3:4])[CH:17]=[N:31]1)[OH:35])[NH:32][C@H:20]1[CH2:10][CH2:9][C:18]2=[CH:11][C:19]([F:28])=[CH:12][C:22]([F:29])=[C:21]2[CH2:13]1

Parent-child relations graph

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