1-[[(3S,9R,10S)-16-(benzenesulfonamido)-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]-3-(4-fluorophenyl)-1-methylurea

Properties Image MNX_ID MNXM341675 reference chebi:125962 formula C35H45FN4O7S global charge 0 mol weight 684.831 InChIKey NWAOHTRJRZZISF-GHTOCUPCSA-N InChI InChI=1S/C35H45FN4O7S/c1-24-21-40(25(2)23-41)34(42)31-20-29(38-48(44,45)30-11-6-5-7-12-30)17-18-32(31)47-26(3)10-8-9-19-46-33(24)22-39(4)35(43)37-28-15-13-27(36)14-16-28/h5-7,11-18,20,24-26,33,38,41H,8-10,19,21-23H2,1-4H3,(H,37,43)/t24-,25-,26-,33-/m0/s1 SMILES C[C@H]1CCCCO[C@@H](CN(C)C(=O)NC2=CC=C(F)C=C2)[C@@H](C)CN([C@@H](C)CO)C(=O)C2=C(C=CC(NS(=O)(=O)C3=CC=CC=C3)=C2)O1 MNX internals InChI (mnx) InChI=1/C35H45FN4O7S/c1-24-21-40(25(2)23-41)34(42)31-20-29(38-48(44,45)30-11-6-5-7-12-30)17-18-32(31)47-26(3)10-8-9-19-46-33(24)22-39(4)35(43)37-28-15-13-27(36)14-16-28/h5-7,11-18,20,24-26,33,38,41H,8-10,19,21-23H2,1-4H3,(H,37,43)/t24-,25-,26-,33-/m0/s1 SMILES (mnx) [CH3:1][C@H:24]1[CH2:21][N:40]([C@@H:25]([CH3:2])[CH2:23][OH:41])[C:34](=[O:42])[C:31]2=[CH:20][C:29]([NH:38][S:48]([C:30]3=[CH:11][CH:6]=[CH:5][CH:7]=[CH:12]3)(=[O:44])=[O:45])=[CH:17][CH:18]=[C:32]2[O:47][C@@H:26]([CH3:3])[CH2:10][CH2:8][CH2:9][CH2:19][O:46][C@H:33]1[CH2:22][N:39]([CH3:4])[C:35]([NH:37][C:28]1=[CH:16][CH:14]=[C:27]([F:36])[CH:13]=[CH:15]1)=[O:43]

Parent-child relations graph

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