(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

Properties Image MNX_ID MNXM170843 reference chebi:124687 formula C25H36N4O3 global charge 0 mol weight 440.588 InChIKey UFZWUKYQTKBBIK-JXQFQVJHSA-N InChI InChI=1S/C25H36N4O3/c1-18-14-29(19(2)17-30)25(31)13-21-12-22(27(3)4)6-7-23(21)32-24(18)16-28(5)15-20-8-10-26-11-9-20/h6-12,18-19,24,30H,13-17H2,1-5H3/t18-,19-,24-/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(N(C)C)=C2)O[C@H]1CN(C)CC1=CC=NC=C1 MNX internals InChI (mnx) InChI=1/C25H36N4O3/c1-18-14-29(19(2)17-30)25(31)13-21-12-22(27(3)4)6-7-23(21)32-24(18)16-28(5)15-20-8-10-26-11-9-20/h6-12,18-19,24,30H,13-17H2,1-5H3/t18-,19-,24-/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:14][N:29]([C@@H:19]([CH3:2])[CH2:17][OH:30])[C:25](=[O:31])[CH2:13][C:21]2=[C:23]([CH:7]=[CH:6][C:22]([N:27]([CH3:3])[CH3:4])=[CH:12]2)[O:32][C@H:24]1[CH2:16][N:28]([CH3:5])[CH2:15][C:20]1=[CH:9][CH:11]=[N:26][CH:10]=[CH:8]1

Parent-child relations graph

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