1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM340458 reference chebi:101635 formula C25H31F3N4O4 global charge 0 mol weight 508.541 InChIKey GXRZKRPKTHFHBM-ZMPRRUGASA-N InChI InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16+,22-/m1/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=CC(NC(=O)NC3=CC=C(C(F)(F)F)C=C3)=C2)OC[C@H](C)NC[C@H]1C MNX internals InChI (mnx) InChI=1/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16+,22-/m1/s1 SMILES (mnx) [CH3:1][C@@H:15]1[CH2:12][NH:29][C@@H:16]([CH3:2])[CH2:14][O:36][C:21]2=[C:20]([CH:11]=[C:19]([N:31]=[C:24]([NH:30][C:18]3=[CH:8][CH:6]=[C:17]([C:25]([F:26])([F:27])[F:28])[CH:5]=[CH:7]3)[OH:34])[CH:9]=[CH:10]2)[C:23](=[O:33])[N:32]([CH3:3])[CH2:13][C@H:22]1[O:35][CH3:4]

Parent-child relations graph

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