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CHEBI:94882 - 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:94882
ChEBI Name1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
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FormulaC35H36F3N5O5
Net Charge0
Average Mass663.697
Monoisotopic Mass663.26685
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C35H36F3N5O5/c1-21-18-43(22(2)20-44)32(45)27-11-7-13-29(41-33(46)40-28-12-6-9-23-8-4-5-10-26(23)28)31(27)48-30(21)19-42(3)34(47)39-25-16-14-24(15-17-25)35(36,37)38/h4-17,21-22,30,44H,18-20H2,1-3H3,(H,39,47)(H2,40,41,46)/t21-,22+,30+/m1/s1
InChIKeyVOMUYBKWHUZOKW-DGIFUFQNSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:94882) is a naphthalenes (CHEBI:25477)
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