1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-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 MNXM340094 reference chebi:129783 formula C38H49F3N4O6 global charge 0 mol weight 714.826 InChIKey XGMQKVJTWVADHD-NUNJUMJCSA-N InChI InChI=1S/C38H49F3N4O6/c1-25-21-45(26(2)24-46)36(47)33-20-31(43-37(48)42-30-13-11-29(12-14-30)38(39,40)41)15-18-34(33)51-27(3)8-6-7-19-50-35(25)23-44(4)22-28-9-16-32(49-5)17-10-28/h9-18,20,25-27,35,46H,6-8,19,21-24H2,1-5H3,(H2,42,43,48)/t25-,26-,27+,35+/m1/s1 SMILES COC1=CC=C(CN(C)C[C@@H]2OCCCC[C@H](C)OC3=C(C=C(NC(=O)NC4=CC=C(C(F)(F)F)C=C4)C=C3)C(=O)N([C@H](C)CO)C[C@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C38H49F3N4O6/c1-25-21-45(26(2)24-46)36(47)33-20-31(43-37(48)42-30-13-11-29(12-14-30)38(39,40)41)15-18-34(33)51-27(3)8-6-7-19-50-35(25)23-44(4)22-28-9-16-32(49-5)17-10-28/h9-18,20,25-27,35,46H,6-8,19,21-24H2,1-5H3,(H2,42,43,48)/t25-,26-,27+,35+/m1/s1 SMILES (mnx) [CH3:1][C@@H:25]1[CH2:21][N:45]([C@H:26]([CH3:2])[CH2:24][OH:46])[C:36](=[O:47])[C:33]2=[CH:20][C:31]([N:43]=[C:37]([NH:42][C:30]3=[CH:14][CH:12]=[C:29]([C:38]([F:39])([F:40])[F:41])[CH:11]=[CH:13]3)[OH:48])=[CH:15][CH:18]=[C:34]2[O:51][C@@H:27]([CH3:3])[CH2:8][CH2:6][CH2:7][CH2:19][O:50][C@H:35]1[CH2:23][N:44]([CH3:4])[CH2:22][C:28]1=[CH:10][CH:17]=[C:32]([O:49][CH3:5])[CH:16]=[CH:9]1

Parent-child relations graph

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