1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

Properties Image MNX_ID MNXM341462 reference chebi:126294 formula C31H34F3N5O5 global charge 0 mol weight 613.637 InChIKey JFCUVFVNVPBJDX-OUDXUNEISA-N InChI InChI=1S/C31H34F3N5O5/c1-19-16-39(20(2)18-40)28(41)24-10-7-11-25(37-29(42)35-23-14-12-21(13-15-23)31(32,33)34)27(24)44-26(19)17-38(3)30(43)36-22-8-5-4-6-9-22/h4-15,19-20,26,40H,16-18H2,1-3H3,(H,36,43)(H2,35,37,42)/t19-,20+,26+/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2=CC=CC=C2)OC2=C(C=CC=C2NC(=O)NC2=CC=C(C(F)(F)F)C=C2)C1=O MNX internals InChI (mnx) InChI=1/C31H34F3N5O5/c1-19-16-39(20(2)18-40)28(41)24-10-7-11-25(37-29(42)35-23-14-12-21(13-15-23)31(32,33)34)27(24)44-26(19)17-38(3)30(43)36-22-8-5-4-6-9-22/h4-15,19-20,26,40H,16-18H2,1-3H3,(H,36,43)(H2,35,37,42)/t19-,20+,26+/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:16][N:39]([C@H:20]([CH3:2])[CH2:18][OH:40])[C:28](=[O:41])[C:24]2=[C:27]([C:25]([N:37]=[C:29]([NH:35][C:23]3=[CH:15][CH:13]=[C:21]([C:31]([F:32])([F:33])[F:34])[CH:12]=[CH:14]3)[OH:42])=[CH:11][CH:7]=[CH:10]2)[O:44][C@@H:26]1[CH2:17][N:38]([CH3:3])[C:30](=[N:36][C:22]1=[CH:8][CH:5]=[CH:4][CH:6]=[CH:9]1)[OH:43]

Parent-child relations graph

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