N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide (CHEBI:124516)

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CHEBI:124516 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

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ChEBI ID	CHEBI:124516
ChEBI Name	N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
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Formula	C31H35F3N4O4
Net Charge	0
Average Mass	584.639
Monoisotopic Mass	584.26104
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C31H35F3N4O4/c1-20-16-38(21(2)19-39)29(40)15-24-14-26(36-30(41)23-10-12-35-13-11-23)8-9-27(24)42-28(20)18-37(3)17-22-4-6-25(7-5-22)31(32,33)34/h4-14,20-21,28,39H,15-19H2,1-3H3,(H,36,41)/t20-,21-,28-/m0/s1
InChIKey	SZBXQOJNNBGCEE-CZBREUMFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide (CHEBI:124516) is a (trifluoromethyl)benzenes (CHEBI:83565)

Manual Xrefs	Databases
LSM-35958	LINCS