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

Properties Image MNX_ID MNXM339488 reference chebi:97998 formula C25H33ClF3N3O3 global charge 0 mol weight 516.004 InChIKey NINYSMYJRLQSCV-PMAPCBKXSA-N InChI InChI=1S/C25H33ClF3N3O3/c1-17(13-32(18(2)16-33)14-19-7-5-6-8-22(19)26)23(35-4)15-31(3)24(34)30-21-11-9-20(10-12-21)25(27,28)29/h5-12,17-18,23,33H,13-16H2,1-4H3,(H,30,34)/t17-,18-,23-/m1/s1 SMILES CO[C@H](CN(C)C(=O)NC1=CC=C(C(F)(F)F)C=C1)[C@H](C)CN(CC1=CC=CC=C1Cl)[C@H](C)CO MNX internals InChI (mnx) InChI=1/C25H33ClF3N3O3/c1-17(13-32(18(2)16-33)14-19-7-5-6-8-22(19)26)23(35-4)15-31(3)24(34)30-21-11-9-20(10-12-21)25(27,28)29/h5-12,17-18,23,33H,13-16H2,1-4H3,(H,30,34)/t17-,18-,23-/m1/s1 SMILES (mnx) [CH3:1][C@H:17]([CH2:13][N:32]([CH2:14][C:19]1=[CH:7][CH:5]=[CH:6][CH:8]=[C:22]1[Cl:26])[C@H:18]([CH3:2])[CH2:16][OH:33])[C@@H:23]([CH2:15][N:31]([CH3:3])[C:24]([NH:30][C:21]1=[CH:12][CH:10]=[C:20]([C:25]([F:27])([F:28])[F:29])[CH:9]=[CH:11]1)=[O:34])[O:35][CH3:4]

Parent-child relations graph

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