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

Properties Image MNX_ID MNXM341590 reference chebi:106749 formula C32H45F3N4O5 global charge 0 mol weight 622.729 InChIKey QSYAMXVABCSWEP-DGGNIJSCSA-N InChI InChI=1S/C32H45F3N4O5/c1-21-18-39(22(2)20-40)30(41)27-17-26(37(4)5)14-15-28(27)44-23(3)9-7-8-16-43-29(21)19-38(6)31(42)36-25-12-10-24(11-13-25)32(33,34)35/h10-15,17,21-23,29,40H,7-9,16,18-20H2,1-6H3,(H,36,42)/t21-,22-,23+,29-/m0/s1 SMILES C[C@@H]1CCCCO[C@@H](CN(C)C(=O)NC2=CC=C(C(F)(F)F)C=C2)[C@@H](C)CN([C@@H](C)CO)C(=O)C2=C(C=CC(N(C)C)=C2)O1 MNX internals InChI (mnx) InChI=1/C32H45F3N4O5/c1-21-18-39(22(2)20-40)30(41)27-17-26(37(4)5)14-15-28(27)44-23(3)9-7-8-16-43-29(21)19-38(6)31(42)36-25-12-10-24(11-13-25)32(33,34)35/h10-15,17,21-23,29,40H,7-9,16,18-20H2,1-6H3,(H,36,42)/t21-,22-,23+,29-/m0/s1 SMILES (mnx) [CH3:1][C@H:21]1[CH2:18][N:39]([C@@H:22]([CH3:2])[CH2:20][OH:40])[C:30](=[O:41])[C:27]2=[CH:17][C:26]([N:37]([CH3:4])[CH3:5])=[CH:14][CH:15]=[C:28]2[O:44][C@H:23]([CH3:3])[CH2:9][CH2:7][CH2:8][CH2:16][O:43][C@H:29]1[CH2:19][N:38]([CH3:6])[C:31]([NH:36][C:25]1=[CH:13][CH:11]=[C:24]([C:32]([F:33])([F:34])[F:35])[CH:10]=[CH:12]1)=[O:42]

Parent-child relations graph

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