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-(4-methoxyphenyl)urea (CHEBI:124769)

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CHEBI:124769 - 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-(4-methoxyphenyl)urea

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ChEBI ID	CHEBI:124769
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-(4-methoxyphenyl)urea
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Downloads	Molfile

Formula	C32H37F3N4O5
Net Charge	0
Average Mass	614.665
Monoisotopic Mass	614.27160
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1
InChI	InChI=1S/C32H37F3N4O5/c1-20-16-39(21(2)19-40)30(41)27-15-25(37-31(42)36-24-9-12-26(43-4)13-10-24)11-14-28(27)44-29(20)18-38(3)17-22-5-7-23(8-6-22)32(33,34)35/h5-15,20-21,29,40H,16-19H2,1-4H3,(H2,36,37,42)/t20-,21+,29-/m0/s1
InChIKey	JRHQODKPGBTKIY-FONBTEPMSA-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-(4-methoxyphenyl)urea (CHEBI:124769) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-36211	LINCS