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

Properties Image MNX_ID MNXM340092 reference chebi:125787 formula C41H49F3N4O5 global charge 0 mol weight 734.86 InChIKey IOGICXGLCRDSGV-RLNGHDNASA-N InChI InChI=1S/C41H49F3N4O5/c1-27-23-48(28(2)26-49)39(50)35-22-33(45-40(51)46-36-14-9-12-31-11-5-6-13-34(31)36)19-20-37(35)53-29(3)10-7-8-21-52-38(27)25-47(4)24-30-15-17-32(18-16-30)41(42,43)44/h5-6,9,11-20,22,27-29,38,49H,7-8,10,21,23-26H2,1-4H3,(H2,45,46,51)/t27-,28-,29+,38+/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC4=CC=CC=C43)=C2)O[C@@H](C)CCCCO[C@H]1CN(C)CC1=CC=C(C(F)(F)F)C=C1 MNX internals InChI (mnx) InChI=1/C41H49F3N4O5/c1-27-23-48(28(2)26-49)39(50)35-22-33(45-40(51)46-36-14-9-12-31-11-5-6-13-34(31)36)19-20-37(35)53-29(3)10-7-8-21-52-38(27)25-47(4)24-30-15-17-32(18-16-30)41(42,43)44/h5-6,9,11-20,22,27-29,38,49H,7-8,10,21,23-26H2,1-4H3,(H2,45,46,51)/t27-,28-,29+,38+/m1/s1 SMILES (mnx) [CH3:1][C@@H:27]1[CH2:23][N:48]([C@H:28]([CH3:2])[CH2:26][OH:49])[C:39](=[O:50])[C:35]2=[CH:22][C:33]([N:45]=[C:40]([NH:46][C:36]3=[CH:14][CH:9]=[CH:12][C:31]4=[CH:11][CH:5]=[CH:6][CH:13]=[C:34]43)[OH:51])=[CH:19][CH:20]=[C:37]2[O:53][C@@H:29]([CH3:3])[CH2:10][CH2:7][CH2:8][CH2:21][O:52][C@H:38]1[CH2:25][N:47]([CH3:4])[CH2:24][C:30]1=[CH:16][CH:18]=[C:32]([C:41]([F:42])([F:43])[F:44])[CH:17]=[CH:15]1

Parent-child relations graph

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