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CHEBI:124474 - 4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

ChEBI IDCHEBI:124474
ChEBI Name4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
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DownloadsMolfile
FormulaC26H33F3N4O4
Net Charge0
Average Mass522.568
Monoisotopic Mass522.24539
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C26H33F3N4O4/c1-17-13-33(18(2)16-34)25(36)21-12-20(31-24(35)6-9-26(27,28)29)4-5-22(21)37-23(17)15-32(3)14-19-7-10-30-11-8-19/h4-5,7-8,10-12,17-18,23,34H,6,9,13-16H2,1-3H3,(H,31,35)/t17-,18+,23+/m1/s1
InChIKeyPALRSHXOGLADEF-STSQHVNTSA-N
ChEBI Ontology
Outgoing Relation(s)
4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide (CHEBI:124474) is a aromatic amide (CHEBI:62733)
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