1-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea

Properties Image MNX_ID MNXM339112 reference chebi:100452 formula C25H34FN3O5 global charge 0 mol weight 475.561 InChIKey DMFJOGMIMQDBLX-YTZAWJCFSA-N InChI InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24+/m1/s1 SMILES CO[C@@H](CN(C)CC1=CC2=C(C=C1)OCO2)[C@H](C)CN(C(=O)NC1=CC=C(F)C=C1)[C@@H](C)CO MNX internals InChI (mnx) InChI=1/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24+/m1/s1 SMILES (mnx) [CH3:1][C@H:17]([CH2:12][N:29]([C@@H:18]([CH3:2])[CH2:15][OH:30])[C:25]([NH:27][C:21]1=[CH:9][CH:7]=[C:20]([F:26])[CH:6]=[CH:8]1)=[O:31])[C@H:24]([CH2:14][N:28]([CH3:3])[CH2:13][C:19]1=[CH:11][C:23]2=[C:22]([CH:10]=[CH:5]1)[O:33][CH2:16][O:34]2)[O:32][CH3:4]

Parent-child relations graph

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