(3R,6aR,8S,10aR)-N-(4-chlorophenyl)-3-hydroxy-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

Properties Image MNX_ID MNXM172088 reference chebi:126942 formula C25H31ClN4O5 global charge 0 mol weight 502.999 InChIKey FBDAABQSIPDTIW-ACESQOTJSA-N InChI InChI=1S/C25H31ClN4O5/c26-18-1-3-19(4-2-18)29-25(33)30-14-20(31)15-34-16-23-22(30)6-5-21(35-23)13-24(32)28-12-9-17-7-10-27-11-8-17/h1-4,7-8,10-11,20-23,31H,5-6,9,12-16H2,(H,28,32)(H,29,33)/t20-,21+,22-,23+/m1/s1 SMILES O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)NC2=CC=C(Cl)C=C2)O1)NCCC1=CC=NC=C1 MNX internals InChI (mnx) InChI=1/C25H31ClN4O5/c26-18-1-3-19(4-2-18)29-25(33)30-14-20(31)15-34-16-23-22(30)6-5-21(35-23)13-24(32)28-12-9-17-7-10-27-11-8-17/h1-4,7-8,10-11,20-23,31H,5-6,9,12-16H2,(H,28,32)(H,29,33)/t20-,21+,22-,23+/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:19]([NH:29][C:25]([N:30]2[CH2:14][C@@H:20]([OH:31])[CH2:15][O:34][CH2:16][C@H:23]3[C@H:22]2[CH2:6][CH2:5][C@@H:21]([CH2:13][C:24](=[N:28][CH2:12][CH2:9][C:17]2=[CH:8][CH:11]=[N:27][CH:10]=[CH:7]2)[OH:32])[O:35]3)=[O:33])=[CH:4][CH:2]=[C:18]1[Cl:26]

Parent-child relations graph

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