1-[(3S,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]-3-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM340251 reference chebi:129416 formula C37H48Cl2N4O6 global charge 0 mol weight 715.719 InChIKey YUYBEPSVBUXRNH-BEOVJFKUSA-N InChI InChI=1S/C37H48Cl2N4O6/c1-24-20-43(25(2)23-44)36(45)31-19-29(41-37(46)40-28-10-13-30(47-5)14-11-28)12-16-34(31)49-26(3)8-6-7-17-48-35(24)22-42(4)21-27-9-15-32(38)33(39)18-27/h9-16,18-19,24-26,35,44H,6-8,17,20-23H2,1-5H3,(H2,40,41,46)/t24-,25-,26-,35+/m0/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@@H](C)CCCCO[C@H](CN(C)CC2=CC(Cl)=C(Cl)C=C2)[C@@H](C)CN([C@@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C37H48Cl2N4O6/c1-24-20-43(25(2)23-44)36(45)31-19-29(41-37(46)40-28-10-13-30(47-5)14-11-28)12-16-34(31)49-26(3)8-6-7-17-48-35(24)22-42(4)21-27-9-15-32(38)33(39)18-27/h9-16,18-19,24-26,35,44H,6-8,17,20-23H2,1-5H3,(H2,40,41,46)/t24-,25-,26-,35+/m0/s1 SMILES (mnx) [CH3:1][C@H:24]1[CH2:20][N:43]([C@@H:25]([CH3:2])[CH2:23][OH:44])[C:36](=[O:45])[C:31]2=[CH:19][C:29]([N:41]=[C:37]([NH:40][C:28]3=[CH:11][CH:14]=[C:30]([O:47][CH3:5])[CH:13]=[CH:10]3)[OH:46])=[CH:12][CH:16]=[C:34]2[O:49][C@@H:26]([CH3:3])[CH2:8][CH2:6][CH2:7][CH2:17][O:48][C@@H:35]1[CH2:22][N:42]([CH3:4])[CH2:21][C:27]1=[CH:18][C:33]([Cl:39])=[C:32]([Cl:38])[CH:15]=[CH:9]1

Parent-child relations graph

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