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

Properties Image MNX_ID MNXM339045 reference chebi:111812 formula C25H34N4O4 global charge 0 mol weight 454.571 InChIKey VPMPLFBICILMPX-STSQHVNTSA-N InChI InChI=1S/C25H34N4O4/c1-17-14-29(18(2)16-30)24(31)13-19-12-21(10-11-22(19)33-23(17)15-28(3)4)27-25(32)26-20-8-6-5-7-9-20/h5-12,17-18,23,30H,13-16H2,1-4H3,(H2,26,27,32)/t17-,18+,23+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)O[C@H]1CN(C)C MNX internals InChI (mnx) InChI=1/C25H34N4O4/c1-17-14-29(18(2)16-30)24(31)13-19-12-21(10-11-22(19)33-23(17)15-28(3)4)27-25(32)26-20-8-6-5-7-9-20/h5-12,17-18,23,30H,13-16H2,1-4H3,(H2,26,27,32)/t17-,18+,23+/m1/s1 SMILES (mnx) [CH3:1][C@@H:17]1[CH2:14][N:29]([C@@H:18]([CH3:2])[CH2:16][OH:30])[C:24](=[O:31])[CH2:13][C:19]2=[C:22]([CH:11]=[CH:10][C:21]([NH:27][C:25](=[N:26][C:20]3=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]3)[OH:32])=[CH:12]2)[O:33][C@H:23]1[CH2:15][N:28]([CH3:3])[CH3:4]

Parent-child relations graph

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