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

Properties Image MNX_ID MNXM339324 reference chebi:108885 formula C24H29F3N4O4 global charge 0 mol weight 494.514 InChIKey KNPSDLIHJHZPLR-AVYPCKFXSA-N InChI InChI=1S/C24H29F3N4O4/c1-14-12-31(15(2)13-32)22(33)18-5-4-6-19(21(18)35-20(14)11-28-3)30-23(34)29-17-9-7-16(8-10-17)24(25,26)27/h4-10,14-15,20,28,32H,11-13H2,1-3H3,(H2,29,30,34)/t14-,15-,20-/m0/s1 SMILES CNC[C@@H]1OC2=C(C=CC=C2NC(=O)NC2=CC=C(C(F)(F)F)C=C2)C(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C24H29F3N4O4/c1-14-12-31(15(2)13-32)22(33)18-5-4-6-19(21(18)35-20(14)11-28-3)30-23(34)29-17-9-7-16(8-10-17)24(25,26)27/h4-10,14-15,20,28,32H,11-13H2,1-3H3,(H2,29,30,34)/t14-,15-,20-/m0/s1 SMILES (mnx) [CH3:1][C@H:14]1[CH2:12][N:31]([C@@H:15]([CH3:2])[CH2:13][OH:32])[C:22](=[O:33])[C:18]2=[C:21]([C:19]([N:30]=[C:23]([NH:29][C:17]3=[CH:10][CH:8]=[C:16]([C:24]([F:25])([F:26])[F:27])[CH:7]=[CH:9]3)[OH:34])=[CH:6][CH:4]=[CH:5]2)[O:35][C@H:20]1[CH2:11][NH:28][CH3:3]

Parent-child relations graph

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