EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113656 - 1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

ChEBI IDCHEBI:113656
ChEBI Name1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
Stars
DownloadsMolfile
FormulaC30H35FN4O6S
Net Charge0
Average Mass598.697
Monoisotopic Mass598.22613
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O
InChIInChI=1S/C30H35FN4O6S/c1-20-17-35(21(2)19-36)29(37)16-22-15-25(33-30(38)32-24-7-5-4-6-8-24)11-14-27(22)41-28(20)18-34(3)42(39,40)26-12-9-23(31)10-13-26/h4-15,20-21,28,36H,16-19H2,1-3H3,(H2,32,33,38)/t20-,21+,28+/m0/s1
InChIKeyWWNAWZZZIRHUSD-BALWLHIASA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea (CHEBI:113656) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-25088LINCS