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

Properties Image MNX_ID MNXM339785 reference chebi:102678 formula C21H25ClFN3O5S global charge 0 mol weight 485.965 InChIKey FXPAFMKRDBMTQM-YZGWKJHDSA-N InChI InChI=1S/C21H25ClFN3O5S/c22-14-3-1-6-18(11-14)32(29,30)24-10-9-17-7-8-19(20(13-27)31-17)26-21(28)25-16-5-2-4-15(23)12-16/h1-6,11-12,17,19-20,24,27H,7-10,13H2,(H2,25,26,28)/t17-,19+,20-/m1/s1 SMILES O=C(NC1=CC(F)=CC=C1)N[C@H]1CC[C@H](CCNS(=O)(=O)C2=CC(Cl)=CC=C2)O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C21H25ClFN3O5S/c22-14-3-1-6-18(11-14)32(29,30)24-10-9-17-7-8-19(20(13-27)31-17)26-21(28)25-16-5-2-4-15(23)12-16/h1-6,11-12,17,19-20,24,27H,7-10,13H2,(H2,25,26,28)/t17-,19+,20-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:14]([Cl:22])=[CH:11][C:18]([S:32]([NH:24][CH2:10][CH2:9][C@H:17]2[CH2:7][CH2:8][C@H:19]([NH:26][C:21](=[N:25][C:16]3=[CH:5][CH:2]=[CH:4][C:15]([F:23])=[CH:12]3)[OH:28])[C@@H:20]([CH2:13][OH:27])[O:31]2)(=[O:29])=[O:30])=[CH:6]1

Parent-child relations graph

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