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CHEBI:111657 - N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide

ChEBI IDCHEBI:111657
ChEBI NameN-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide
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DownloadsMolfile
FormulaC28H34F3N5O5S
Net Charge0
Average Mass609.671
Monoisotopic Mass609.22327
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3cn(C)cn3)cccc2C1=O
InChIInChI=1S/C28H34F3N5O5S/c1-18-12-36(19(2)16-37)27(38)22-6-5-7-23(33-42(39,40)25-15-35(4)17-32-25)26(22)41-24(18)14-34(3)13-20-8-10-21(11-9-20)28(29,30)31/h5-11,15,17-19,24,33,37H,12-14,16H2,1-4H3/t18-,19+,24+/m0/s1
InChIKeyDXKOHZBEBBERNQ-XLNZFTOWSA-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-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:111657) is a sulfonamide (CHEBI:35358)
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