1-[(2R,3S)-5-[(2R)-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]-3-phenylurea (CHEBI:126650)

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CHEBI:126650 - 1-[(2R,3S)-5-[(2R)-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]-3-phenylurea

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ChEBI ID	CHEBI:126650
ChEBI Name	1-[(2R,3S)-5-[(2R)-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]-3-phenylurea
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Formula	C31H35F3N4O4
Net Charge	0
Average Mass	584.639
Monoisotopic Mass	584.26104
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O
InChI	InChI=1S/C31H35F3N4O4/c1-20-16-38(21(2)19-39)29(40)26-15-25(36-30(41)35-24-7-5-4-6-8-24)13-14-27(26)42-28(20)18-37(3)17-22-9-11-23(12-10-22)31(32,33)34/h4-15,20-21,28,39H,16-19H2,1-3H3,(H2,35,36,41)/t20-,21+,28-/m0/s1
InChIKey	RUOZLMFIBHXSJW-GTNJKRJXSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(2R,3S)-5-[(2R)-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]-3-phenylurea (CHEBI:126650) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-38213	LINCS