3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:94850)

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CHEBI:94850 - 3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[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:94850
ChEBI Name	3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[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)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChI	InChI=1S/C31H33F4N5O5/c1-18-15-40(19(2)17-41)28(42)25-14-24(37-29(43)36-22-8-4-20(5-9-22)31(33,34)35)12-13-26(25)45-27(18)16-39(3)30(44)38-23-10-6-21(32)7-11-23/h4-14,18-19,27,41H,15-17H2,1-3H3,(H,38,44)(H2,36,37,43)/t18-,19-,27+/m1/s1
InChIKey	RYXOQQNEEVIEQP-KFDHSVMUSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:94850) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-6069	LINCS