3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:128519)

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CHEBI:128519 - 3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:128519
ChEBI Name	3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
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Formula	C31H33F4N5O5
Net Charge	0
Average Mass	631.627
Monoisotopic Mass	631.24178
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChI	InChI=1S/C31H33F4N5O5/c1-18-15-40(19(2)17-41)28(42)24-5-4-6-25(38-29(43)36-22-11-7-20(8-12-22)31(33,34)35)27(24)45-26(18)16-39(3)30(44)37-23-13-9-21(32)10-14-23/h4-14,18-19,26,41H,15-17H2,1-3H3,(H,37,44)(H2,36,38,43)/t18-,19+,26+/m1/s1
InChIKey	WPBPFKXXTRHSGN-MVYHEMRASA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:128519) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-40073	LINCS