1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM339329 reference chebi:127732 formula C26H33F3N4O6S global charge 0 mol weight 586.633 InChIKey HZSXZCOBWRAVOF-QQMNAOGKSA-N InChI InChI=1S/C26H33F3N4O6S/c1-16-13-33(17(2)15-34)24(35)12-18-11-21(9-10-22(18)39-23(16)14-32(3)40(4,37)38)31-25(36)30-20-7-5-19(6-8-20)26(27,28)29/h5-11,16-17,23,34H,12-15H2,1-4H3,(H2,30,31,36)/t16-,17-,23-/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(NC(=O)NC3=CC=C(C(F)(F)F)C=C3)=C2)O[C@H]1CN(C)S(C)(=O)=O MNX internals InChI (mnx) InChI=1/C26H33F3N4O6S/c1-16-13-33(17(2)15-34)24(35)12-18-11-21(9-10-22(18)39-23(16)14-32(3)40(4,37)38)31-25(36)30-20-7-5-19(6-8-20)26(27,28)29/h5-11,16-17,23,34H,12-15H2,1-4H3,(H2,30,31,36)/t16-,17-,23-/m0/s1 SMILES (mnx) [CH3:1][C@H:16]1[CH2:13][N:33]([C@@H:17]([CH3:2])[CH2:15][OH:34])[C:24](=[O:35])[CH2:12][C:18]2=[C:22]([CH:10]=[CH:9][C:21]([NH:31][C:25]([NH:30][C:20]3=[CH:8][CH:6]=[C:19]([C:26]([F:27])([F:28])[F:29])[CH:5]=[CH:7]3)=[O:36])=[CH:11]2)[O:39][C@H:23]1[CH2:14][N:32]([CH3:3])[S:40]([CH3:4])(=[O:37])=[O:38]

Parent-child relations graph

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