1-cyclohexyl-3-[(3R,9S,10S)-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]urea

Properties Image MNX_ID MNXM344654 reference chebi:111089 formula C30H50N4O5 global charge 0 mol weight 546.753 InChIKey VUABGABXFJSUSX-HIAVRWOZSA-N InChI InChI=1S/C30H50N4O5/c1-21-18-34(22(2)20-35)29(36)26-17-25(32-30(37)31-24-12-7-6-8-13-24)14-15-27(26)39-23(3)11-9-10-16-38-28(21)19-33(4)5/h14-15,17,21-24,28,35H,6-13,16,18-20H2,1-5H3,(H2,31,32,37)/t21-,22-,23+,28+/m0/s1 SMILES C[C@@H]1CCCCO[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3CCCCC3)=C2)O1 MNX internals InChI (mnx) InChI=1/C30H50N4O5/c1-21-18-34(22(2)20-35)29(36)26-17-25(32-30(37)31-24-12-7-6-8-13-24)14-15-27(26)39-23(3)11-9-10-16-38-28(21)19-33(4)5/h14-15,17,21-24,28,35H,6-13,16,18-20H2,1-5H3,(H2,31,32,37)/t21-,22-,23+,28+/m0/s1 SMILES (mnx) [CH3:1][C@H:21]1[CH2:18][N:34]([C@@H:22]([CH3:2])[CH2:20][OH:35])[C:29](=[O:36])[C:26]2=[CH:17][C:25]([NH:32][C:30](=[N:31][CH:24]3[CH2:12][CH2:7][CH2:6][CH2:8][CH2:13]3)[OH:37])=[CH:14][CH:15]=[C:27]2[O:39][C@H:23]([CH3:3])[CH2:11][CH2:9][CH2:10][CH2:16][O:38][C@@H:28]1[CH2:19][N:33]([CH3:4])[CH3:5]

Parent-child relations graph

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