CHEBI:127828 - 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]-4-methoxybenzenesulfonamide

ChEBI IDCHEBI:127828
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]-4-methoxybenzenesulfonamide
Stars
DownloadsMolfile
FormulaC31H36F3N3O6S
Net Charge0
Average Mass635.705
Monoisotopic Mass635.22769
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1
InChIInChI=1S/C31H36F3N3O6S/c1-20-16-37(21(2)19-38)30(39)26-6-5-7-27(35-44(40,41)25-14-12-24(42-4)13-15-25)29(26)43-28(20)18-36(3)17-22-8-10-23(11-9-22)31(32,33)34/h5-15,20-21,28,35,38H,16-19H2,1-4H3/t20-,21-,28+/m1/s1
InChIKeyUAUOFZFFKSPQKO-CJYOKPGZSA-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]-4-methoxybenzenesulfonamide (CHEBI:127828) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-39384LINCS