1-[[(2R,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Properties Image MNX_ID MNXM341138 reference chebi:124420 formula C26H36N4O5 global charge 0 mol weight 484.597 InChIKey VOLWMNYWHGFNTD-STSQHVNTSA-N InChI InChI=1S/C26H36N4O5/c1-17-14-30(18(2)16-31)25(32)21-8-7-9-22(28(3)4)24(21)35-23(17)15-29(5)26(33)27-19-10-12-20(34-6)13-11-19/h7-13,17-18,23,31H,14-16H2,1-6H3,(H,27,33)/t17-,18+,23+/m1/s1 SMILES COC1=CC=C(NC(=O)N(C)C[C@@H]2OC3=C(C=CC=C3N(C)C)C(=O)N([C@@H](C)CO)C[C@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C26H36N4O5/c1-17-14-30(18(2)16-31)25(32)21-8-7-9-22(28(3)4)24(21)35-23(17)15-29(5)26(33)27-19-10-12-20(34-6)13-11-19/h7-13,17-18,23,31H,14-16H2,1-6H3,(H,27,33)/t17-,18+,23+/m1/s1 SMILES (mnx) [CH3:1][C@@H:17]1[CH2:14][N:30]([C@@H:18]([CH3:2])[CH2:16][OH:31])[C:25](=[O:32])[C:21]2=[C:24]([C:22]([N:28]([CH3:3])[CH3:4])=[CH:9][CH:7]=[CH:8]2)[O:35][C@H:23]1[CH2:15][N:29]([CH3:5])[C:26]([NH:27][C:19]1=[CH:11][CH:13]=[C:20]([O:34][CH3:6])[CH:12]=[CH:10]1)=[O:33]

Parent-child relations graph

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