1-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM339809 reference chebi:124371 formula C22H28FN3O6S global charge 0 mol weight 481.546 InChIKey PKTGHWVQYHZFBO-YSIASYRMSA-N InChI InChI=1S/C22H28FN3O6S/c1-31-16-8-6-15(7-9-16)25-22(28)26-19-11-10-17(32-20(19)14-27)12-13-24-33(29,30)21-5-3-2-4-18(21)23/h2-9,17,19-20,24,27H,10-14H2,1H3,(H2,25,26,28)/t17-,19-,20+/m0/s1 SMILES COC1=CC=C(NC(=O)N[C@H]2CC[C@@H](CCNS(=O)(=O)C3=CC=CC=C3F)O[C@@H]2CO)C=C1 MNX internals InChI (mnx) InChI=1/C22H28FN3O6S/c1-31-16-8-6-15(7-9-16)25-22(28)26-19-11-10-17(32-20(19)14-27)12-13-24-33(29,30)21-5-3-2-4-18(21)23/h2-9,17,19-20,24,27H,10-14H2,1H3,(H2,25,26,28)/t17-,19-,20+/m0/s1 SMILES (mnx) [CH3:1][O:31][C:16]1=[CH:9][CH:7]=[C:15]([NH:25][C:22](=[N:26][C@H:19]2[CH2:11][CH2:10][C@@H:17]([CH2:12][CH2:13][NH:24][S:33]([C:21]3=[CH:5][CH:3]=[CH:2][CH:4]=[C:18]3[F:23])(=[O:29])=[O:30])[O:32][C@@H:20]2[CH2:14][OH:27])[OH:28])[CH:6]=[CH:8]1

Parent-child relations graph

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