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

Properties Image MNX_ID MNXM341595 reference chebi:117860 formula C32H48N4O6 global charge 0 mol weight 584.758 InChIKey IYJPIDGCXVWPNR-WAHOFHFDSA-N InChI InChI=1S/C32H48N4O6/c1-22-19-36(23(2)21-37)31(38)28-18-26(34(4)5)13-16-29(28)42-24(3)10-8-9-17-41-30(22)20-35(6)32(39)33-25-11-14-27(40-7)15-12-25/h11-16,18,22-24,30,37H,8-10,17,19-21H2,1-7H3,(H,33,39)/t22-,23-,24+,30-/m0/s1 SMILES COC1=CC=C(NC(=O)N(C)C[C@@H]2OCCCC[C@@H](C)OC3=C(C=C(N(C)C)C=C3)C(=O)N([C@@H](C)CO)C[C@@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C32H48N4O6/c1-22-19-36(23(2)21-37)31(38)28-18-26(34(4)5)13-16-29(28)42-24(3)10-8-9-17-41-30(22)20-35(6)32(39)33-25-11-14-27(40-7)15-12-25/h11-16,18,22-24,30,37H,8-10,17,19-21H2,1-7H3,(H,33,39)/t22-,23-,24+,30-/m0/s1 SMILES (mnx) [CH3:1][C@H:22]1[CH2:19][N:36]([C@@H:23]([CH3:2])[CH2:21][OH:37])[C:31](=[O:38])[C:28]2=[CH:18][C:26]([N:34]([CH3:4])[CH3:5])=[CH:13][CH:16]=[C:29]2[O:42][C@H:24]([CH3:3])[CH2:10][CH2:8][CH2:9][CH2:17][O:41][C@H:30]1[CH2:20][N:35]([CH3:6])[C:32]([NH:33][C:25]1=[CH:12][CH:15]=[C:27]([O:40][CH3:7])[CH:14]=[CH:11]1)=[O:39]

Parent-child relations graph

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