1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM339172 reference chebi:102281 formula C20H26F3N5O4 global charge 0 mol weight 457.453 InChIKey ZOURSNKVQGBTHH-KURKYZTESA-N InChI InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17-,18+/m1/s1 SMILES COCC1=CN(CC[C@H]2CC[C@@H](NC(=O)NC3=CC=C(C(F)(F)F)C=C3)[C@H](CO)O2)N=N1 MNX internals InChI (mnx) InChI=1/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17-,18+/m1/s1 SMILES (mnx) [CH3:1][O:31][CH2:12][C:15]1=[CH:10][N:28]([CH2:9][CH2:8][C@H:16]2[CH2:6][CH2:7][C@@H:17]([N:25]=[C:19]([NH:24][C:14]3=[CH:5][CH:3]=[C:13]([C:20]([F:21])([F:22])[F:23])[CH:2]=[CH:4]3)[OH:30])[C@H:18]([CH2:11][OH:29])[O:32]2)[N:27]=[N:26]1

Parent-child relations graph

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