1-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-3-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM340179 reference chebi:130388 formula C34H50N4O6 global charge 0 mol weight 610.796 InChIKey NRXGVPPIKRTMIX-WQLOUEFUSA-N InChI InChI=1S/C34H50N4O6/c1-23-19-38(24(2)22-39)33(40)30-18-28(36-34(41)35-27-11-14-29(42-5)15-12-27)13-16-31(30)44-25(3)8-6-7-17-43-32(23)21-37(4)20-26-9-10-26/h11-16,18,23-26,32,39H,6-10,17,19-22H2,1-5H3,(H2,35,36,41)/t23-,24+,25-,32-/m0/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@@H](C)CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C34H50N4O6/c1-23-19-38(24(2)22-39)33(40)30-18-28(36-34(41)35-27-11-14-29(42-5)15-12-27)13-16-31(30)44-25(3)8-6-7-17-43-32(23)21-37(4)20-26-9-10-26/h11-16,18,23-26,32,39H,6-10,17,19-22H2,1-5H3,(H2,35,36,41)/t23-,24+,25-,32-/m0/s1 SMILES (mnx) [CH3:1][C@H:23]1[CH2:19][N:38]([C@H:24]([CH3:2])[CH2:22][OH:39])[C:33](=[O:40])[C:30]2=[CH:18][C:28]([N:36]=[C:34]([NH:35][C:27]3=[CH:12][CH:15]=[C:29]([O:42][CH3:5])[CH:14]=[CH:11]3)[OH:41])=[CH:13][CH:16]=[C:31]2[O:44][C@@H:25]([CH3:3])[CH2:8][CH2:6][CH2:7][CH2:17][O:43][C@H:32]1[CH2:21][N:37]([CH3:4])[CH2:20][CH:26]1[CH2:9][CH2:10]1

Parent-child relations graph

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