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CHEBI:130533 - N-(2-aminophenyl)-4-[[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide

Default Structure
ChEBI IDCHEBI:130533
ChEBI NameN-(2-aminophenyl)-4-[[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC39H43F3N6O5
Net Charge0
Average Mass732.804
Monoisotopic Mass732.32470
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C39H43F3N6O5/c1-24-20-48(25(2)23-49)36(50)19-28-18-31(45-38(52)44-30-14-12-29(13-15-30)39(40,41)42)16-17-34(28)53-35(24)22-47(3)21-26-8-10-27(11-9-26)37(51)46-33-7-5-4-6-32(33)43/h4-18,24-25,35,49H,19-23,43H2,1-3H3,(H,46,51)(H2,44,45,52)/t24-,25-,35+/m0/s1
InChIKeyYPKBHAMQCQAOQB-PEFAJXDASA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-4-[[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide (CHEBI:130533) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
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