1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Properties Image MNX_ID MNXM341486 reference chebi:111774 formula C28H36F3N5O5 global charge 0 mol weight 579.62 InChIKey GUUFQQDCAZBWHX-LLJLJFOGSA-N InChI InChI=1S/C28H36F3N5O5/c1-16(2)32-27(40)35(5)14-24-17(3)13-36(18(4)15-37)25(38)22-12-21(10-11-23(22)41-24)34-26(39)33-20-8-6-19(7-9-20)28(29,30)31/h6-12,16-18,24,37H,13-15H2,1-5H3,(H,32,40)(H2,33,34,39)/t17-,18-,24+/m0/s1 SMILES CC(C)NC(=O)N(C)C[C@H]1OC2=C(C=C(NC(=O)NC3=CC=C(C(F)(F)F)C=C3)C=C2)C(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C28H36F3N5O5/c1-16(2)32-27(40)35(5)14-24-17(3)13-36(18(4)15-37)25(38)22-12-21(10-11-23(22)41-24)34-26(39)33-20-8-6-19(7-9-20)28(29,30)31/h6-12,16-18,24,37H,13-15H2,1-5H3,(H,32,40)(H2,33,34,39)/t17-,18-,24+/m0/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[N:32]=[C:27]([N:35]([CH3:5])[CH2:14][C@@H:24]1[C@@H:17]([CH3:3])[CH2:13][N:36]([C@@H:18]([CH3:4])[CH2:15][OH:37])[C:25](=[O:38])[C:22]2=[C:23]([CH:11]=[CH:10][C:21]([N:34]=[C:26]([NH:33][C:20]3=[CH:9][CH:7]=[C:19]([C:28]([F:29])([F:30])[F:31])[CH:6]=[CH:8]3)[OH:39])=[CH:12]2)[O:41]1)[OH:40]

Parent-child relations graph

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