1-[[(2S,3R)-8-(4-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:95469)

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CHEBI:95469 - 1-[[(2S,3R)-8-(4-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

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ChEBI ID	CHEBI:95469
ChEBI Name	1-[[(2S,3R)-8-(4-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
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Formula	C30H30F3N5O4
Net Charge	0
Average Mass	581.595
Monoisotopic Mass	581.22499
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C30H30F3N5O4/c1-18-15-38(19(2)17-39)28(40)25-12-22(21-6-4-20(13-34)5-7-21)14-35-27(25)42-26(18)16-37(3)29(41)36-24-10-8-23(9-11-24)30(31,32)33/h4-12,14,18-19,26,39H,15-17H2,1-3H3,(H,36,41)/t18-,19+,26-/m1/s1
InChIKey	KJZOGGIMPWHLRO-UYXZNNOOSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(2S,3R)-8-(4-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:95469) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-6848	LINCS