1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-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 MNXM341602 reference chebi:130395 formula C31H43F3N4O7S global charge 0 mol weight 672.767 InChIKey JQKHDUWQEWCERO-SOLZYKTISA-N InChI InChI=1S/C31H43F3N4O7S/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-46(5,42)43)13-14-27(26)45-22(3)8-6-7-15-44-28(20)18-37(4)30(41)35-24-11-9-23(10-12-24)31(32,33)34/h9-14,16,20-22,28,36,39H,6-8,15,17-19H2,1-5H3,(H,35,41)/t20-,21-,22-,28-/m1/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(NS(C)(=O)=O)=C2)O1 MNX internals InChI (mnx) InChI=1/C31H43F3N4O7S/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-46(5,42)43)13-14-27(26)45-22(3)8-6-7-15-44-28(20)18-37(4)30(41)35-24-11-9-23(10-12-24)31(32,33)34/h9-14,16,20-22,28,36,39H,6-8,15,17-19H2,1-5H3,(H,35,41)/t20-,21-,22-,28-/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[CH2:17][N:38]([C@H:21]([CH3:2])[CH2:19][OH:39])[C:29](=[O:40])[C:26]2=[CH:16][C:25]([NH:36][S:46]([CH3:5])(=[O:42])=[O:43])=[CH:13][CH:14]=[C:27]2[O:45][C@H:22]([CH3:3])[CH2:8][CH2:6][CH2:7][CH2:15][O:44][C@@H:28]1[CH2:18][N:37]([CH3:4])[C:30]([NH:35][C:24]1=[CH:12][CH:10]=[C:23]([C:31]([F:32])([F:33])[F:34])[CH:9]=[CH:11]1)=[O:41]

Parent-child relations graph

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