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CHEBI:123918 - 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-8-yl]-2-thiophenesulfonamide

ChEBI IDCHEBI:123918
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-8-yl]-2-thiophenesulfonamide
Stars
DownloadsMolfile
FormulaC28H32F3N3O5S2
Net Charge0
Average Mass611.708
Monoisotopic Mass611.17355
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H32F3N3O5S2/c1-18-14-34(19(2)17-35)27(36)23-13-22(32-41(37,38)26-5-4-12-40-26)10-11-24(23)39-25(18)16-33(3)15-20-6-8-21(9-7-20)28(29,30)31/h4-13,18-19,25,32,35H,14-17H2,1-3H3/t18-,19-,25+/m1/s1
InChIKeyGHNPBIHGNBSEKQ-RRQZXNHTSA-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-8-yl]-2-thiophenesulfonamide (CHEBI:123918) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35360LINCS