(2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one

Properties Image MNX_ID MNXM171570 reference chebi:111642 formula C31H39N3O4 global charge 0 mol weight 517.67 InChIKey WHHZCPPSCKMHDQ-ZTNZZFSWSA-N InChI InChI=1S/C31H39N3O4/c1-22-18-34(23(2)21-35)31(36)28-17-25(32(3)4)13-16-29(28)38-30(22)20-33(5)19-24-11-14-27(15-12-24)37-26-9-7-6-8-10-26/h6-17,22-23,30,35H,18-21H2,1-5H3/t22-,23-,30+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(N(C)C)=C2)O[C@@H]1CN(C)CC1=CC=C(OC2=CC=CC=C2)C=C1 MNX internals InChI (mnx) InChI=1/C31H39N3O4/c1-22-18-34(23(2)21-35)31(36)28-17-25(32(3)4)13-16-29(28)38-30(22)20-33(5)19-24-11-14-27(15-12-24)37-26-9-7-6-8-10-26/h6-17,22-23,30,35H,18-21H2,1-5H3/t22-,23-,30+/m0/s1 SMILES (mnx) [CH3:1][C@H:22]1[CH2:18][N:34]([C@@H:23]([CH3:2])[CH2:21][OH:35])[C:31](=[O:36])[C:28]2=[C:29]([CH:16]=[CH:13][C:25]([N:32]([CH3:3])[CH3:4])=[CH:17]2)[O:38][C@@H:30]1[CH2:20][N:33]([CH3:5])[CH2:19][C:24]1=[CH:12][CH:15]=[C:27]([O:37][C:26]2=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]2)[CH:14]=[CH:11]1

Parent-child relations graph

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