1-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM339281 reference chebi:97720 formula C25H32F5N3O3 global charge 0 mol weight 517.539 InChIKey JTIGHJUHEGWKGG-SAHWJRBASA-N InChI InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17+,23-/m1/s1 SMILES CO[C@H](CN(C)CC1=C(F)C=CC(F)=C1)[C@H](C)CN(C(=O)NC1=CC=C(C(F)(F)F)C=C1)[C@@H](C)CO MNX internals InChI (mnx) InChI=1/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17+,23-/m1/s1 SMILES (mnx) [CH3:1][C@H:16]([CH2:12][N:33]([C@@H:17]([CH3:2])[CH2:15][OH:34])[C:24]([NH:31][C:21]1=[CH:9][CH:6]=[C:19]([C:25]([F:28])([F:29])[F:30])[CH:5]=[CH:8]1)=[O:35])[C@@H:23]([CH2:14][N:32]([CH3:3])[CH2:13][C:18]1=[C:22]([F:27])[CH:10]=[CH:7][C:20]([F:26])=[CH:11]1)[O:36][CH3:4]

Parent-child relations graph

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