Pradigastat (USAN)

Properties Image MNX_ID MNXM160451 reference keggD:D10664 formula C25H24F3N3O2 global charge 0 mol weight 455.48 InChIKey GXALXAKNHIROPE-QAQDUYKDSA-N InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17- SMILES O=C(O)C[C@H]1CC[C@H](C2=CC=C(C3=CC=C(NC4=CC=C(C(F)(F)F)N=C4)C=N3)C=C2)CC1 MNX internals InChI (mnx) InChI=1/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17- SMILES (mnx) [CH2:1]1[CH2:3][C@H:17]([C:18]2=[CH:6][CH:8]=[C:19]([C:22]3=[N:29][CH:14]=[C:20]([NH:31][C:21]4=[CH:15][N:30]=[C:23]([C:25]([F:26])([F:27])[F:28])[CH:12]=[CH:10]4)[CH:9]=[CH:11]3)[CH:7]=[CH:5]2)[CH2:4][CH2:2][C@H:16]1[CH2:13][C:24](=[O:32])[OH:33]

Parent-child relations graph

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