1-[(3R,9R,10R)-9-[(dimethylamino)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 MNXM339920 reference chebi:110959 formula C31H46N4O6 global charge 0 mol weight 570.731 InChIKey PSEUFYCSFOBFBF-MBWUYLOXSA-N InChI InChI=1S/C31H46N4O6/c1-21-18-35(22(2)20-36)30(37)27-17-25(33-31(38)32-24-10-13-26(39-6)14-11-24)12-15-28(27)41-23(3)9-7-8-16-40-29(21)19-34(4)5/h10-15,17,21-23,29,36H,7-9,16,18-20H2,1-6H3,(H2,32,33,38)/t21-,22+,23-,29+/m1/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@H](C)CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C31H46N4O6/c1-21-18-35(22(2)20-36)30(37)27-17-25(33-31(38)32-24-10-13-26(39-6)14-11-24)12-15-28(27)41-23(3)9-7-8-16-40-29(21)19-34(4)5/h10-15,17,21-23,29,36H,7-9,16,18-20H2,1-6H3,(H2,32,33,38)/t21-,22+,23-,29+/m1/s1 SMILES (mnx) [CH3:1][C@@H:21]1[CH2:18][N:35]([C@@H:22]([CH3:2])[CH2:20][OH:36])[C:30](=[O:37])[C:27]2=[CH:17][C:25]([N:33]=[C:31]([NH:32][C:24]3=[CH:11][CH:14]=[C:26]([O:39][CH3:6])[CH:13]=[CH:10]3)[OH:38])=[CH:12][CH:15]=[C:28]2[O:41][C@H:23]([CH3:3])[CH2:9][CH2:7][CH2:8][CH2:16][O:40][C@H:29]1[CH2:19][N:34]([CH3:4])[CH3:5]

Parent-child relations graph

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