N-[(2S,3S)-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-8-yl]-4-pyridinecarboxamide (CHEBI:124173)

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CHEBI:124173 - N-[(2S,3S)-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-8-yl]-4-pyridinecarboxamide

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ChEBI ID	CHEBI:124173
ChEBI Name	N-[(2S,3S)-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-8-yl]-4-pyridinecarboxamide
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Downloads	Molfile

Formula	C30H33F3N4O4
Net Charge	0
Average Mass	570.612
Monoisotopic Mass	570.24539
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C30H33F3N4O4/c1-19-15-37(20(2)18-38)29(40)25-14-24(35-28(39)22-10-12-34-13-11-22)8-9-26(25)41-27(19)17-36(3)16-21-4-6-23(7-5-21)30(31,32)33/h4-14,19-20,27,38H,15-18H2,1-3H3,(H,35,39)/t19-,20-,27+/m0/s1
InChIKey	OAUQJKHBLAZZLB-OWOAZTCBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-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-8-yl]-4-pyridinecarboxamide (CHEBI:124173) is a (trifluoromethyl)benzenes (CHEBI:83565)

Manual Xrefs	Databases
LSM-35615	LINCS