1-[(3S,9R,10R)-12-[(2S)-1-(dimethylamino)propan-2-yl]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

Properties Image MNX_ID MNXM340096 reference chebi:92797 formula C37H50FN5O6S global charge 0 mol weight 711.901 InChIKey BKTXRPJVVXUPPO-PNCWTNKOSA-N InChI InChI=1S/C37H50FN5O6S/c1-26-23-43(27(2)24-41(4)5)36(44)33-22-31(40-37(45)39-30-13-8-7-9-14-30)17-20-34(33)49-28(3)12-10-11-21-48-35(26)25-42(6)50(46,47)32-18-15-29(38)16-19-32/h7-9,13-20,22,26-28,35H,10-12,21,23-25H2,1-6H3,(H2,39,40,45)/t26-,27+,28+,35+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CN(C)C)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)O[C@@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)C1=CC=C(F)C=C1 MNX internals InChI (mnx) InChI=1/C37H50FN5O6S/c1-26-23-43(27(2)24-41(4)5)36(44)33-22-31(40-37(45)39-30-13-8-7-9-14-30)17-20-34(33)49-28(3)12-10-11-21-48-35(26)25-42(6)50(46,47)32-18-15-29(38)16-19-32/h7-9,13-20,22,26-28,35H,10-12,21,23-25H2,1-6H3,(H2,39,40,45)/t26-,27+,28+,35+/m1/s1 SMILES (mnx) [CH3:1][C@@H:26]1[CH2:23][N:43]([C@@H:27]([CH3:2])[CH2:24][N:41]([CH3:4])[CH3:5])[C:36](=[O:44])[C:33]2=[CH:22][C:31]([NH:40][C:37](=[N:39][C:30]3=[CH:13][CH:8]=[CH:7][CH:9]=[CH:14]3)[OH:45])=[CH:17][CH:20]=[C:34]2[O:49][C@@H:28]([CH3:3])[CH2:12][CH2:10][CH2:11][CH2:21][O:48][C@H:35]1[CH2:25][N:42]([CH3:6])[S:50]([C:32]1=[CH:19][CH:16]=[C:29]([F:38])[CH:15]=[CH:18]1)(=[O:46])=[O:47]

Parent-child relations graph

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