1-(4-fluorophenyl)-3-[(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-10-yl]urea (CHEBI:127891)

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CHEBI:127891 - 1-(4-fluorophenyl)-3-[(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-10-yl]urea

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ChEBI ID	CHEBI:127891
ChEBI Name	1-(4-fluorophenyl)-3-[(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-10-yl]urea
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Downloads	Molfile

Formula	C31H34F4N4O4
Net Charge	0
Average Mass	602.629
Monoisotopic Mass	602.25162
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O
InChI	InChI=1S/C31H34F4N4O4/c1-19-15-39(20(2)18-40)29(41)25-5-4-6-26(37-30(42)36-24-13-11-23(32)12-14-24)28(25)43-27(19)17-38(3)16-21-7-9-22(10-8-21)31(33,34)35/h4-14,19-20,27,40H,15-18H2,1-3H3,(H2,36,37,42)/t19-,20+,27-/m0/s1
InChIKey	TWIGAEAIANFZGS-VKIDHGPPSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(4-fluorophenyl)-3-[(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-10-yl]urea (CHEBI:127891) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-39447	LINCS