(2S,3R)-10-(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 MNXM171247 reference chebi:111664 formula C31H39N3O4 global charge 0 mol weight 517.67 InChIKey KBWKSVZPOQKHGN-RLPNJSHFSA-N InChI InChI=1S/C31H39N3O4/c1-22-18-34(23(2)21-35)31(36)27-12-9-13-28(32(3)4)30(27)38-29(22)20-33(5)19-24-14-16-26(17-15-24)37-25-10-7-6-8-11-25/h6-17,22-23,29,35H,18-21H2,1-5H3/t22-,23+,29-/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(O[C@@H]1CN(C)CC1=CC=C(OC3=CC=CC=C3)C=C1)C(N(C)C)=CC=C2 MNX internals InChI (mnx) InChI=1/C31H39N3O4/c1-22-18-34(23(2)21-35)31(36)27-12-9-13-28(32(3)4)30(27)38-29(22)20-33(5)19-24-14-16-26(17-15-24)37-25-10-7-6-8-11-25/h6-17,22-23,29,35H,18-21H2,1-5H3/t22-,23+,29-/m1/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:27]2=[C:30]([C:28]([N:32]([CH3:3])[CH3:4])=[CH:13][CH:9]=[CH:12]2)[O:38][C@@H:29]1[CH2:20][N:33]([CH3:5])[CH2:19][C:24]1=[CH:15][CH:17]=[C:26]([O:37][C:25]2=[CH:10][CH:7]=[CH:6][CH:8]=[CH:11]2)[CH:16]=[CH:14]1

Parent-child relations graph

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