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CHEBI:124559 - N-[(2R,3R)-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]methanesulfonamide

ChEBI IDCHEBI:124559
ChEBI NameN-[(2R,3R)-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]methanesulfonamide
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FormulaC25H32F3N3O5S
Net Charge0
Average Mass543.608
Monoisotopic Mass543.20148
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H32F3N3O5S/c1-16-12-31(17(2)15-32)24(33)20-6-5-7-21(29-37(4,34)35)23(20)36-22(16)14-30(3)13-18-8-10-19(11-9-18)25(26,27)28/h5-11,16-17,22,29,32H,12-15H2,1-4H3/t16-,17-,22+/m1/s1
InChIKeyGHSBNWVRWBOOLF-YVHKJVDXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-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]methanesulfonamide (CHEBI:124559) is a sulfonamide (CHEBI:35358)
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