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CHEBI:124723 - 1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:124723
ChEBI Name1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC25H31F3N4O6S
Net Charge0
Average Mass572.606
Monoisotopic Mass572.19164
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H31F3N4O6S/c1-15-12-32(16(2)14-33)23(34)20-11-19(30-39(4,36)37)9-10-21(20)38-22(15)13-31(3)24(35)29-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,30,33H,12-14H2,1-4H3,(H,29,35)/t15-,16-,22+/m1/s1
InChIKeyFXGMTXOCFPDCBH-MCFFVMPBSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:124723) is a sulfonamide (CHEBI:35358)
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