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

Properties Image MNX_ID MNXM339391 reference chebi:123564 formula C21H25ClFN3O5S global charge 0 mol weight 485.965 InChIKey FXQPIHLBIKTXQP-YSSFQJQWSA-N InChI InChI=1S/C21H25ClFN3O5S/c22-14-5-8-16(9-6-14)32(29,30)24-12-11-15-7-10-19(20(13-27)31-15)26-21(28)25-18-4-2-1-3-17(18)23/h1-6,8-9,15,19-20,24,27H,7,10-13H2,(H2,25,26,28)/t15-,19-,20-/m0/s1 SMILES O=C(NC1=CC=CC=C1F)N[C@H]1CC[C@@H](CCNS(=O)(=O)C2=CC=C(Cl)C=C2)O[C@H]1CO MNX internals InChI (mnx) InChI=1/C21H25ClFN3O5S/c22-14-5-8-16(9-6-14)32(29,30)24-12-11-15-7-10-19(20(13-27)31-15)26-21(28)25-18-4-2-1-3-17(18)23/h1-6,8-9,15,19-20,24,27H,7,10-13H2,(H2,25,26,28)/t15-,19-,20-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:18]([N:25]=[C:21]([NH:26][C@H:19]2[CH2:10][CH2:7][C@@H:15]([CH2:11][CH2:12][NH:24][S:32]([C:16]3=[CH:9][CH:6]=[C:14]([Cl:22])[CH:5]=[CH:8]3)(=[O:29])=[O:30])[O:31][C@H:20]2[CH2:13][OH:27])[OH:28])[C:17]([F:23])=[CH:3]1

Parent-child relations graph

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