1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-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 MNXM340159 reference chebi:104716 formula C31H43F3N4O5 global charge 0 mol weight 608.702 InChIKey GMYAYTAKTSTYEI-QBMQIYCRSA-N InChI InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21+,22-,28-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C)OCCCC[C@H](C)OC2=C(C=C(NC(=O)NC3=CC=C(C(F)(F)F)C=C3)C=C2)C1=O MNX internals InChI (mnx) InChI=1/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21+,22-,28-/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:17][N:38]([C@H:21]([CH3:2])[CH2:19][OH:39])[C:29](=[O:40])[C:26]2=[CH:16][C:25]([N:36]=[C:30]([NH:35][C:24]3=[CH:12][CH:10]=[C:23]([C:31]([F:32])([F:33])[F:34])[CH:9]=[CH:11]3)[OH:41])=[CH:13][CH:14]=[C:27]2[O:43][C@@H:22]([CH3:3])[CH2:8][CH2:6][CH2:7][CH2:15][O:42][C@H:28]1[CH2:18][N:37]([CH3:4])[CH3:5]

Parent-child relations graph

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