1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM339955 reference chebi:123947 formula C30H41F3N4O5 global charge 0 mol weight 594.675 InChIKey JTLOVMZMVDHICP-GRWWNZOSSA-N InChI InChI=1S/C30H41F3N4O5/c1-19-17-37(20(2)18-38)28(39)25-15-24(36-29(40)35-23-10-8-22(9-11-23)30(31,32)33)12-13-26(25)42-21(3)7-5-6-14-41-27(19)16-34-4/h8-13,15,19-21,27,34,38H,5-7,14,16-18H2,1-4H3,(H2,35,36,40)/t19-,20-,21+,27-/m0/s1 SMILES CNC[C@@H]1OCCCC[C@@H](C)OC2=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/C30H41F3N4O5/c1-19-17-37(20(2)18-38)28(39)25-15-24(36-29(40)35-23-10-8-22(9-11-23)30(31,32)33)12-13-26(25)42-21(3)7-5-6-14-41-27(19)16-34-4/h8-13,15,19-21,27,34,38H,5-7,14,16-18H2,1-4H3,(H2,35,36,40)/t19-,20-,21+,27-/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:17][N:37]([C@@H:20]([CH3:2])[CH2:18][OH:38])[C:28](=[O:39])[C:25]2=[CH:15][C:24]([N:36]=[C:29]([NH:35][C:23]3=[CH:11][CH:9]=[C:22]([C:30]([F:31])([F:32])[F:33])[CH:8]=[CH:10]3)[OH:40])=[CH:12][CH:13]=[C:26]2[O:42][C@H:21]([CH3:3])[CH2:7][CH2:5][CH2:6][CH2:14][O:41][C@H:27]1[CH2:16][NH:34][CH3:4]

Parent-child relations graph

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