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CHEBI:124874 - N-[(2S,3R)-5-[(2S)-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]-2-pyrazinecarboxamide

ChEBI IDCHEBI:124874
ChEBI NameN-[(2S,3R)-5-[(2S)-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]-2-pyrazinecarboxamide
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DownloadsMolfile
FormulaC29H32F3N5O4
Net Charge0
Average Mass571.600
Monoisotopic Mass571.24064
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3cnccn3)c2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H32F3N5O4/c1-18-14-37(19(2)17-38)28(40)22-5-4-6-23(35-27(39)24-13-33-11-12-34-24)26(22)41-25(18)16-36(3)15-20-7-9-21(10-8-20)29(30,31)32/h4-13,18-19,25,38H,14-17H2,1-3H3,(H,35,39)/t18-,19+,25-/m1/s1
InChIKeyGICWHENSWCRTTD-HHJKRLRDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2S)-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]-2-pyrazinecarboxamide (CHEBI:124874) is a (trifluoromethyl)benzenes (CHEBI:83565)
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