1-[(3R,9R,10R)-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-fluorophenyl)urea

Properties Image MNX_ID MNXM339912 reference chebi:123767 formula C30H43FN4O5 global charge 0 mol weight 558.695 InChIKey DYIGNVBEUCFAEB-KUMFRPPMSA-N InChI InChI=1S/C30H43FN4O5/c1-20-17-35(21(2)19-36)29(37)26-16-25(33-30(38)32-24-11-9-23(31)10-12-24)13-14-27(26)40-22(3)8-6-7-15-39-28(20)18-34(4)5/h9-14,16,20-22,28,36H,6-8,15,17-19H2,1-5H3,(H2,32,33,38)/t20-,21-,22-,28+/m1/s1 SMILES C[C@@H]1CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=C(F)C=C3)=C2)O1 MNX internals InChI (mnx) InChI=1/C30H43FN4O5/c1-20-17-35(21(2)19-36)29(37)26-16-25(33-30(38)32-24-11-9-23(31)10-12-24)13-14-27(26)40-22(3)8-6-7-15-39-28(20)18-34(4)5/h9-14,16,20-22,28,36H,6-8,15,17-19H2,1-5H3,(H2,32,33,38)/t20-,21-,22-,28+/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[CH2:17][N:35]([C@H:21]([CH3:2])[CH2:19][OH:36])[C:29](=[O:37])[C:26]2=[CH:16][C:25]([N:33]=[C:30]([NH:32][C:24]3=[CH:12][CH:10]=[C:23]([F:31])[CH:9]=[CH:11]3)[OH:38])=[CH:13][CH:14]=[C:27]2[O:40][C@H:22]([CH3:3])[CH2:8][CH2:6][CH2:7][CH2:15][O:39][C@H:28]1[CH2:18][N:34]([CH3:4])[CH3:5]

Parent-child relations graph

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