(3S,6aS,8R,10aS)-8-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-hydroxy-N-(2-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

Properties Image MNX_ID MNXM172349 reference chebi:97477 formula C31H41N3O6 global charge 0 mol weight 551.684 InChIKey PLPDORRRKBPITR-IKQRCTNISA-N InChI InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25+,27-,29+/m0/s1 SMILES COC1=CC=CC=C1NC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCC(CC4=CC=CC=C4)CC3)CC[C@@H]21 MNX internals InChI (mnx) InChI=1/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25+,27-,29+/m0/s1 SMILES (mnx) [CH3:1][O:38][C:28]1=[CH:10][CH:6]=[CH:5][CH:9]=[C:26]1[N:32]=[C:31]([N:34]1[CH2:19][C@H:24]([OH:35])[CH2:20][O:39][CH2:21][C@@H:29]2[C@@H:27]1[CH2:12][CH2:11][C@H:25]([CH2:18][C:30]([N:33]1[CH2:15][CH2:13][CH:23]([CH2:17][C:22]3=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]3)[CH2:14][CH2:16]1)=[O:36])[O:40]2)[OH:37]

Parent-child relations graph

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