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

Properties Image MNX_ID MNXM339811 reference chebi:123547 formula C18H28FN3O5S global charge 0 mol weight 417.503 InChIKey QCWCRAHEENXEDE-BHYGNILZSA-N InChI InChI=1S/C18H28FN3O5S/c1-2-9-20-18(24)22-16-7-6-14(27-17(16)12-23)8-10-21-28(25,26)15-5-3-4-13(19)11-15/h3-5,11,14,16-17,21,23H,2,6-10,12H2,1H3,(H2,20,22,24)/t14-,16-,17+/m0/s1 SMILES CCCNC(=O)N[C@H]1CC[C@@H](CCNS(=O)(=O)C2=CC=CC(F)=C2)O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C18H28FN3O5S/c1-2-9-20-18(24)22-16-7-6-14(27-17(16)12-23)8-10-21-28(25,26)15-5-3-4-13(19)11-15/h3-5,11,14,16-17,21,23H,2,6-10,12H2,1H3,(H2,20,22,24)/t14-,16-,17+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:9][N:20]=[C:18]([NH:22][C@H:16]1[CH2:7][CH2:6][C@@H:14]([CH2:8][CH2:10][NH:21][S:28]([C:15]2=[CH:5][CH:3]=[CH:4][C:13]([F:19])=[CH:11]2)(=[O:25])=[O:26])[O:27][C@@H:17]1[CH2:12][OH:23])[OH:24]

Parent-child relations graph

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