1-[(3R,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]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-phenylurea

Properties Image MNX_ID MNXM339924 reference chebi:127998 formula C36H46Cl2N4O5 global charge 0 mol weight 685.693 InChIKey CHFYKRHHVBHPRB-FXRKCPOXSA-N InChI InChI=1S/C36H46Cl2N4O5/c1-24-20-42(25(2)23-43)35(44)30-19-29(40-36(45)39-28-11-6-5-7-12-28)14-16-33(30)47-26(3)10-8-9-17-46-34(24)22-41(4)21-27-13-15-31(37)32(38)18-27/h5-7,11-16,18-19,24-26,34,43H,8-10,17,20-23H2,1-4H3,(H2,39,40,45)/t24-,25-,26-,34+/m1/s1 SMILES C[C@@H]1CCCCO[C@@H](CN(C)CC2=CC(Cl)=C(Cl)C=C2)[C@H](C)CN([C@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)O1 MNX internals InChI (mnx) InChI=1/C36H46Cl2N4O5/c1-24-20-42(25(2)23-43)35(44)30-19-29(40-36(45)39-28-11-6-5-7-12-28)14-16-33(30)47-26(3)10-8-9-17-46-34(24)22-41(4)21-27-13-15-31(37)32(38)18-27/h5-7,11-16,18-19,24-26,34,43H,8-10,17,20-23H2,1-4H3,(H2,39,40,45)/t24-,25-,26-,34+/m1/s1 SMILES (mnx) [CH3:1][C@@H:24]1[CH2:20][N:42]([C@H:25]([CH3:2])[CH2:23][OH:43])[C:35](=[O:44])[C:30]2=[CH:19][C:29]([NH:40][C:36](=[N:39][C:28]3=[CH:11][CH:6]=[CH:5][CH:7]=[CH:12]3)[OH:45])=[CH:14][CH:16]=[C:33]2[O:47][C@H:26]([CH3:3])[CH2:10][CH2:8][CH2:9][CH2:17][O:46][C@H:34]1[CH2:22][N:41]([CH3:4])[CH2:21][C:27]1=[CH:18][C:32]([Cl:38])=[C:31]([Cl:37])[CH:15]=[CH:13]1

Parent-child relations graph

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