1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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 MNXM340219 reference chebi:106923 formula C30H44N4O6 global charge 0 mol weight 556.704 InChIKey QZYXNEJVPTWBHC-KJZXJLKKSA-N InChI InChI=1S/C30H44N4O6/c1-20-18-34(21(2)19-35)29(36)26-16-24(33-30(37)32-23-9-12-25(38-5)13-10-23)11-14-27(26)40-22(3)8-6-7-15-39-28(20)17-31-4/h9-14,16,20-22,28,31,35H,6-8,15,17-19H2,1-5H3,(H2,32,33,37)/t20-,21+,22-,28+/m0/s1 SMILES CNC[C@H]1OCCCC[C@H](C)OC2=C(C=C(NC(=O)NC3=CC=C(OC)C=C3)C=C2)C(=O)N([C@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C30H44N4O6/c1-20-18-34(21(2)19-35)29(36)26-16-24(33-30(37)32-23-9-12-25(38-5)13-10-23)11-14-27(26)40-22(3)8-6-7-15-39-28(20)17-31-4/h9-14,16,20-22,28,31,35H,6-8,15,17-19H2,1-5H3,(H2,32,33,37)/t20-,21+,22-,28+/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:18][N:34]([C@H:21]([CH3:2])[CH2:19][OH:35])[C:29](=[O:36])[C:26]2=[CH:16][C:24]([N:33]=[C:30]([NH:32][C:23]3=[CH:10][CH:13]=[C:25]([O:38][CH3:5])[CH:12]=[CH:9]3)[OH:37])=[CH:11][CH:14]=[C:27]2[O:40][C@@H:22]([CH3:3])[CH2:8][CH2:6][CH2:7][CH2:15][O:39][C@@H:28]1[CH2:17][NH:31][CH3:4]

Parent-child relations graph

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