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CHEBI:108695 - 4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

ChEBI IDCHEBI:108695
ChEBI Name4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
Stars
DownloadsMolfile
FormulaC29H38F3N3O5
Net Charge0
Average Mass565.633
Monoisotopic Mass565.27636
SMILESCOc1ccc(CN(C)C[C@@H]2Oc3ccc(NC(=O)CCC(F)(F)F)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C29H38F3N3O5/c1-19-15-35(20(2)18-36)28(38)14-22-13-23(33-27(37)11-12-29(30,31)32)7-10-25(22)40-26(19)17-34(3)16-21-5-8-24(39-4)9-6-21/h5-10,13,19-20,26,36H,11-12,14-18H2,1-4H3,(H,33,37)/t19-,20-,26+/m1/s1
InChIKeyIUJLOVQYFFXLDN-KYTVRQNUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide (CHEBI:108695) is a aromatic amine (CHEBI:33860)
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