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

Properties Image MNX_ID MNXM339042 reference chebi:113746 formula C24H32N4O4 global charge 0 mol weight 440.544 InChIKey SSJJWSMGDNAKCS-LZJOCLMNSA-N InChI InChI=1S/C24H32N4O4/c1-16-13-28(17(2)15-29)23(30)19-11-8-12-20(22(19)32-21(16)14-27(3)4)26-24(31)25-18-9-6-5-7-10-18/h5-12,16-17,21,29H,13-15H2,1-4H3,(H2,25,26,31)/t16-,17-,21+/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(O[C@H]1CN(C)C)C(NC(=O)NC1=CC=CC=C1)=CC=C2 MNX internals InChI (mnx) InChI=1/C24H32N4O4/c1-16-13-28(17(2)15-29)23(30)19-11-8-12-20(22(19)32-21(16)14-27(3)4)26-24(31)25-18-9-6-5-7-10-18/h5-12,16-17,21,29H,13-15H2,1-4H3,(H2,25,26,31)/t16-,17-,21+/m1/s1 SMILES (mnx) [CH3:1][C@@H:16]1[CH2:13][N:28]([C@H:17]([CH3:2])[CH2:15][OH:29])[C:23](=[O:30])[C:19]2=[C:22]([C:20]([NH:26][C:24](=[N:25][C:18]3=[CH:9][CH:6]=[CH:5][CH:7]=[CH:10]3)[OH:31])=[CH:12][CH:8]=[CH:11]2)[O:32][C@H:21]1[CH2:14][N:27]([CH3:3])[CH3:4]

Parent-child relations graph

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