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CHEBI:129040 - N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide

Default Structure
ChEBI IDCHEBI:129040
ChEBI NameN-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
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DownloadsMolfile
FormulaC35H42F3N5O5
Net Charge0
Average Mass669.745
Monoisotopic Mass669.31380
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C35H42F3N5O5/c1-22-18-43(23(2)21-44)33(46)17-26-16-27(40-32(45)14-15-35(36,37)38)12-13-30(26)48-31(22)20-42(3)19-24-8-10-25(11-9-24)34(47)41-29-7-5-4-6-28(29)39/h4-13,16,22-23,31,44H,14-15,17-21,39H2,1-3H3,(H,40,45)(H,41,47)/t22-,23+,31-/m1/s1
InChIKeyQQBXNGROOKAAKB-IKBQMQIHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide (CHEBI:129040) is a benzamides (CHEBI:22702)
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