1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM339321 reference chebi:124590 formula C25H34N4O5 global charge 0 mol weight 470.57 InChIKey RQWJWORVZYGQGA-QQMNAOGKSA-N InChI InChI=1S/C25H34N4O5/c1-16-14-29(17(2)15-30)24(31)12-18-11-20(7-10-22(18)34-23(16)13-26-3)28-25(32)27-19-5-8-21(33-4)9-6-19/h5-11,16-17,23,26,30H,12-15H2,1-4H3,(H2,27,28,32)/t16-,17-,23-/m0/s1 SMILES CNC[C@@H]1OC2=C(C=C(NC(=O)NC3=CC=C(OC)C=C3)C=C2)CC(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C25H34N4O5/c1-16-14-29(17(2)15-30)24(31)12-18-11-20(7-10-22(18)34-23(16)13-26-3)28-25(32)27-19-5-8-21(33-4)9-6-19/h5-11,16-17,23,26,30H,12-15H2,1-4H3,(H2,27,28,32)/t16-,17-,23-/m0/s1 SMILES (mnx) [CH3:1][C@H:16]1[CH2:14][N:29]([C@@H:17]([CH3:2])[CH2:15][OH:30])[C:24](=[O:31])[CH2:12][C:18]2=[C:22]([CH:10]=[CH:7][C:20]([NH:28][C:25]([NH:27][C:19]3=[CH:6][CH:9]=[C:21]([O:33][CH3:4])[CH:8]=[CH:5]3)=[O:32])=[CH:11]2)[O:34][C@H:23]1[CH2:13][NH:26][CH3:3]

Parent-child relations graph

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