EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:101016 - 3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea

ChEBI IDCHEBI:101016
ChEBI Name3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea
Stars
DownloadsMolfile
FormulaC24H34FN3O5S
Net Charge0
Average Mass495.617
Monoisotopic Mass495.22032
SMILESCO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO
InChIInChI=1S/C24H34FN3O5S/c1-17-10-12-20(13-11-17)34(31,32)27(4)15-23(33-5)18(2)14-28(19(3)16-29)24(30)26-22-9-7-6-8-21(22)25/h6-13,18-19,23,29H,14-16H2,1-5H3,(H,26,30)/t18-,19+,23+/m1/s1
InChIKeyIMMALVOVYMCCKV-MSYCTHLASA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea (CHEBI:101016) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-12389LINCS