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CHEBI:130163 - 1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-9-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

Default Structure
ChEBI IDCHEBI:130163
ChEBI Name1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-9-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC36H38F3N5O5
Net Charge0
Average Mass677.724
Monoisotopic Mass677.28250
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C36H38F3N5O5/c1-22-19-44(23(2)21-45)33(46)18-25-17-28(40-34(47)42-30-10-6-8-24-7-4-5-9-29(24)30)15-16-31(25)49-32(22)20-43(3)35(48)41-27-13-11-26(12-14-27)36(37,38)39/h4-17,22-23,32,45H,18-21H2,1-3H3,(H,41,48)(H2,40,42,47)/t22-,23+,32-/m1/s1
InChIKeyRLXZBURZGJBDKR-MEYXWREJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-9-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:130163) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
LSM-41713LINCS