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CHEBI:128996 - N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3,5-dimethyl-4-isoxazolesulfonamide

ChEBI IDCHEBI:128996
ChEBI NameN-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3,5-dimethyl-4-isoxazolesulfonamide
Stars
DownloadsMolfile
FormulaC30H37F3N4O6S
Net Charge0
Average Mass638.709
Monoisotopic Mass638.23859
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2
InChIInChI=1S/C30H37F3N4O6S/c1-18-14-37(19(2)17-38)28(39)13-23-12-25(35-44(40,41)29-20(3)34-43-21(29)4)10-11-26(23)42-27(18)16-36(5)15-22-6-8-24(9-7-22)30(31,32)33/h6-12,18-19,27,35,38H,13-17H2,1-5H3/t18-,19+,27+/m0/s1
InChIKeyHGHHOHQGISPNNA-DSNGTPCMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:128996) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
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