(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-6'-(4-hydroxyphenyl)-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione

Properties Image MNX_ID MNXM172289 reference chebi:94124 formula C44H39N3O7 global charge 0 mol weight 721.81 InChIKey XSLAKCDQFXHWHL-KTDJTCJASA-N InChI InChI=1S/C44H39N3O7/c1-52-34-23-29-21-22-46(25-30(29)24-35(34)53-2)41(49)36-38-42(50)54-39(27-13-7-4-8-14-27)37(26-11-5-3-6-12-26)47(38)40(28-17-19-31(48)20-18-28)44(36)32-15-9-10-16-33(32)45-43(44)51/h3-20,23-24,36-40,48H,21-22,25H2,1-2H3,(H,45,51)/t36-,37-,38-,39+,40+,44-/m1/s1 SMILES COC1=C(OC)C=C2CN(C(=O)[C@H]3[C@@H]4C(=O)O[C@@H](C5=CC=CC=C5)[C@@H](C5=CC=CC=C5)N4[C@@H](C4=CC=C(O)C=C4)[C@]34C(=O)NC3=CC=CC=C34)CCC2=C1 MNX internals InChI (mnx) InChI=1/C44H39N3O7/c1-52-34-23-29-21-22-46(25-30(29)24-35(34)53-2)41(49)36-38-42(50)54-39(27-13-7-4-8-14-27)37(26-11-5-3-6-12-26)47(38)40(28-17-19-31(48)20-18-28)44(36)32-15-9-10-16-33(32)45-43(44)51/h3-20,23-24,36-40,48H,21-22,25H2,1-2H3,(H,45,51)/t36-,37-,38-,39+,40+,44-/m1/s1 SMILES (mnx) [CH3:1][O:52][C:34]1=[C:35]([O:53][CH3:2])[CH:24]=[C:30]2[CH2:25][N:46]([C:41]([C@H:36]3[C@@H:38]4[C:42](=[O:50])[O:54][C@@H:39]([C:27]5=[CH:13][CH:7]=[CH:4][CH:8]=[CH:14]5)[C@@H:37]([C:26]5=[CH:11][CH:5]=[CH:3][CH:6]=[CH:12]5)[N:47]4[C@@H:40]([C:28]4=[CH:18][CH:20]=[C:31]([OH:48])[CH:19]=[CH:17]4)[C@@:44]34[C:32]3=[CH:15][CH:9]=[CH:10][CH:16]=[C:33]3[N:45]=[C:43]4[OH:51])=[O:49])[CH2:22][CH2:21][C:29]2=[CH:23]1

Parent-child relations graph

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