EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:108893 - N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide

ChEBI IDCHEBI:108893
ChEBI NameN-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
Stars
DownloadsMolfile
FormulaC27H33ClF3N3O6S
Net Charge0
Average Mass620.090
Monoisotopic Mass619.17307
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O
InChIInChI=1S/C27H33ClF3N3O6S/c1-17-14-34(18(2)16-35)26(37)13-19-12-21(32-25(36)10-11-27(29,30)31)6-9-23(19)40-24(17)15-33(3)41(38,39)22-7-4-20(28)5-8-22/h4-9,12,17-18,24,35H,10-11,13-16H2,1-3H3,(H,32,36)/t17-,18+,24+/m0/s1
InChIKeyBTSOZOCIIHDJJX-HOOSLVGPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide (CHEBI:108893) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-20292LINCS