1-[[(3R,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

Properties Image MNX_ID MNXM341642 reference chebi:104662 formula C30H47N5O6 global charge 0 mol weight 573.735 InChIKey AQPDNHSQVUKPGE-ZAACQVCWSA-N InChI InChI=1S/C30H47N5O6/c1-19-16-35(20(2)18-36)29(37)25-15-24(33(6)7)12-13-26(25)40-21(3)11-9-10-14-39-27(19)17-34(8)30(38)31-28-22(4)32-41-23(28)5/h12-13,15,19-21,27,36H,9-11,14,16-18H2,1-8H3,(H,31,38)/t19-,20+,21+,27+/m0/s1 SMILES CC1=NOC(C)=C1NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)OC2=C(C=C(N(C)C)C=C2)C(=O)N([C@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C30H47N5O6/c1-19-16-35(20(2)18-36)29(37)25-15-24(33(6)7)12-13-26(25)40-21(3)11-9-10-14-39-27(19)17-34(8)30(38)31-28-22(4)32-41-23(28)5/h12-13,15,19-21,27,36H,9-11,14,16-18H2,1-8H3,(H,31,38)/t19-,20+,21+,27+/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:16][N:35]([C@H:20]([CH3:2])[CH2:18][OH:36])[C:29](=[O:37])[C:25]2=[CH:15][C:24]([N:33]([CH3:6])[CH3:7])=[CH:12][CH:13]=[C:26]2[O:40][C@H:21]([CH3:3])[CH2:11][CH2:9][CH2:10][CH2:14][O:39][C@@H:27]1[CH2:17][N:34]([CH3:8])[C:30](=[N:31][C:28]1=[C:23]([CH3:5])[O:41][N:32]=[C:22]1[CH3:4])[OH:38]

Parent-child relations graph

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