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

Properties Image MNX_ID MNXM172358 reference chebi:99712 formula C26H32ClN3O5 global charge 0 mol weight 502.011 InChIKey QYSMODXJNCJWNA-KAVIJBJXSA-N InChI InChI=1S/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21-,22+,23-,24+/m0/s1 SMILES C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)NC2=CC(Cl)=CC=C2)O1)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21-,22+,23-,24+/m0/s1 SMILES (mnx) [CH3:1][C@@H:17]([C:18]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1)[N:28]=[C:25]([CH2:13][C@H:22]1[CH2:10][CH2:11][C@H:23]2[C@@H:24]([CH2:16][O:34][CH2:15][C@@H:21]([OH:31])[CH2:14][N:30]2[C:26](=[N:29][C:20]2=[CH:9][CH:5]=[CH:8][C:19]([Cl:27])=[CH:12]2)[OH:33])[O:35]1)[OH:32]

Parent-child relations graph

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