1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM340006 reference chebi:111143 formula C34H52N4O6 global charge 0 mol weight 612.812 InChIKey JCVAFPCEYZSYDX-VUKRRIEASA-N InChI InChI=1S/C34H52N4O6/c1-23(2)35-34(41)36-28-13-16-31-30(18-28)33(40)38(25(4)22-39)19-24(3)32(43-17-9-8-10-26(5)44-31)21-37(6)20-27-11-14-29(42-7)15-12-27/h11-16,18,23-26,32,39H,8-10,17,19-22H2,1-7H3,(H2,35,36,41)/t24-,25+,26-,32-/m1/s1 SMILES COC1=CC=C(CN(C)C[C@H]2OCCCC[C@@H](C)OC3=C(C=C(NC(=O)NC(C)C)C=C3)C(=O)N([C@@H](C)CO)C[C@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C34H52N4O6/c1-23(2)35-34(41)36-28-13-16-31-30(18-28)33(40)38(25(4)22-39)19-24(3)32(43-17-9-8-10-26(5)44-31)21-37(6)20-27-11-14-29(42-7)15-12-27/h11-16,18,23-26,32,39H,8-10,17,19-22H2,1-7H3,(H2,35,36,41)/t24-,25+,26-,32-/m1/s1 SMILES (mnx) [CH3:1][CH:23]([CH3:2])[N:35]=[C:34]([NH:36][C:28]1=[CH:13][CH:16]=[C:31]2[C:30](=[CH:18]1)[C:33](=[O:40])[N:38]([C@@H:25]([CH3:4])[CH2:22][OH:39])[CH2:19][C@@H:24]([CH3:3])[C@@H:32]([CH2:21][N:37]([CH3:6])[CH2:20][C:27]1=[CH:12][CH:15]=[C:29]([O:42][CH3:7])[CH:14]=[CH:11]1)[O:43][CH2:17][CH2:9][CH2:8][CH2:10][C@@H:26]([CH3:5])[O:44]2)[OH:41]

Parent-child relations graph

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