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

Properties Image MNX_ID MNXM339369 reference chebi:118461 formula C21H32ClN3O5S global charge 0 mol weight 474.023 InChIKey DFLSSFAMCLDBJA-HOJAQTOUSA-N InChI InChI=1S/C21H32ClN3O5S/c22-15-6-9-18(10-7-15)31(28,29)23-13-12-17-8-11-19(20(14-26)30-17)25-21(27)24-16-4-2-1-3-5-16/h6-7,9-10,16-17,19-20,23,26H,1-5,8,11-14H2,(H2,24,25,27)/t17-,19+,20+/m1/s1 SMILES O=C(NC1CCCCC1)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/C21H32ClN3O5S/c22-15-6-9-18(10-7-15)31(28,29)23-13-12-17-8-11-19(20(14-26)30-17)25-21(27)24-16-4-2-1-3-5-16/h6-7,9-10,16-17,19-20,23,26H,1-5,8,11-14H2,(H2,24,25,27)/t17-,19+,20+/m1/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH:16]([N:24]=[C:21]([NH:25][C@H:19]2[CH2:11][CH2:8][C@H:17]([CH2:12][CH2:13][NH:23][S:31]([C:18]3=[CH:10][CH:7]=[C:15]([Cl:22])[CH:6]=[CH:9]3)(=[O:28])=[O:29])[O:30][C@H:20]2[CH2:14][OH:26])[OH:27])[CH2:5][CH2:3]1

Parent-child relations graph

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