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

Properties Image MNX_ID MNXM171594 reference chebi:108815 formula C27H36F3N3O3 global charge 0 mol weight 507.597 InChIKey RAYQZOVLGJUDGR-XHNVNVPESA-N InChI InChI=1S/C27H36F3N3O3/c1-18-14-33(19(2)17-34)26(35)13-21-12-23(31(3)4)10-11-24(21)36-25(18)16-32(5)15-20-6-8-22(9-7-20)27(28,29)30/h6-12,18-19,25,34H,13-17H2,1-5H3/t18-,19-,25+/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=C(C(F)(F)F)C=C1 MNX internals InChI (mnx) InChI=1/C27H36F3N3O3/c1-18-14-33(19(2)17-34)26(35)13-21-12-23(31(3)4)10-11-24(21)36-25(18)16-32(5)15-20-6-8-22(9-7-20)27(28,29)30/h6-12,18-19,25,34H,13-17H2,1-5H3/t18-,19-,25+/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:14][N:33]([C@@H:19]([CH3:2])[CH2:17][OH:34])[C:26](=[O:35])[CH2:13][C:21]2=[C:24]([CH:11]=[CH:10][C:23]([N:31]([CH3:3])[CH3:4])=[CH:12]2)[O:36][C@@H:25]1[CH2:16][N:32]([CH3:5])[CH2:15][C:20]1=[CH:7][CH:9]=[C:22]([C:27]([F:28])([F:29])[F:30])[CH:8]=[CH:6]1

Parent-child relations graph

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