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CHEBI:94859 - 1-[[(2R,3R)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:94859
ChEBI Name1-[[(2R,3R)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC31H40F3N5O5
Net Charge0
Average Mass619.685
Monoisotopic Mass619.29815
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H40F3N5O5/c1-19-16-39(20(2)18-40)28(41)25-15-24(36-29(42)35-22-7-5-4-6-8-22)13-14-26(25)44-27(19)17-38(3)30(43)37-23-11-9-21(10-12-23)31(32,33)34/h9-15,19-20,22,27,40H,4-8,16-18H2,1-3H3,(H,37,43)(H2,35,36,42)/t19-,20+,27+/m1/s1
InChIKeyYTDSYMZJLPPOGB-JVAFGIKQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:94859) is a ureas (CHEBI:47857)
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