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

Properties Image MNX_ID MNXM172322 reference chebi:102775 formula C21H31N3O6 global charge 0 mol weight 421.494 InChIKey SSPYWNJKRFMGCQ-AITUJVMLSA-N InChI InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17+,18+,19-/m0/s1 SMILES COC1=CC=CC(NC(=O)N2C[C@H](O)COC[C@@H]3O[C@@H](CC(=O)N(C)C)CC[C@H]32)=C1 MNX internals InChI (mnx) InChI=1/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17+,18+,19-/m0/s1 SMILES (mnx) [CH3:1][N:23]([CH3:2])[C:20]([CH2:10][C@H:17]1[CH2:7][CH2:8][C@@H:18]2[C@H:19]([CH2:13][O:29][CH2:12][C@@H:15]([OH:25])[CH2:11][N:24]2[C:21](=[N:22][C:14]2=[CH:9][C:16]([O:28][CH3:3])=[CH:6][CH:4]=[CH:5]2)[OH:27])[O:30]1)=[O:26]

Parent-child relations graph

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