1-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM341349 reference chebi:111622 formula C26H33F3N4O4 global charge 0 mol weight 522.568 InChIKey UASMVRRVZNRGSL-HYFFOGBASA-N InChI InChI=1S/C26H33F3N4O4/c1-16-13-33(17(2)15-34)24(35)20-7-6-8-21(31(3)4)23(20)37-22(16)14-32(5)25(36)30-19-11-9-18(10-12-19)26(27,28)29/h6-12,16-17,22,34H,13-15H2,1-5H3,(H,30,36)/t16-,17+,22-/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(O[C@@H]1CN(C)C(=O)NC1=CC=C(C(F)(F)F)C=C1)C(N(C)C)=CC=C2 MNX internals InChI (mnx) InChI=1/C26H33F3N4O4/c1-16-13-33(17(2)15-34)24(35)20-7-6-8-21(31(3)4)23(20)37-22(16)14-32(5)25(36)30-19-11-9-18(10-12-19)26(27,28)29/h6-12,16-17,22,34H,13-15H2,1-5H3,(H,30,36)/t16-,17+,22-/m1/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])[C:20]2=[C:23]([C:21]([N:31]([CH3:3])[CH3:4])=[CH:8][CH:6]=[CH:7]2)[O:37][C@@H:22]1[CH2:14][N:32]([CH3:5])[C:25]([NH:30][C:19]1=[CH:12][CH:10]=[C:18]([C:26]([F:27])([F:28])[F:29])[CH:9]=[CH:11]1)=[O:36]

Parent-child relations graph

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