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CHEBI:124178 - N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide

Default Structure
ChEBI IDCHEBI:124178
ChEBI NameN-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
Stars
DownloadsMolfile
FormulaC32H43F3N4O5
Net Charge0
Average Mass620.713
Monoisotopic Mass620.31856
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C32H43F3N4O5/c1-22-18-39(23(2)21-40)31(42)17-25-16-27(36-30(41)10-11-38-12-14-43-15-13-38)8-9-28(25)44-29(22)20-37(3)19-24-4-6-26(7-5-24)32(33,34)35/h4-9,16,22-23,29,40H,10-15,17-21H2,1-3H3,(H,36,41)/t22-,23-,29+/m1/s1
InChIKeyVDKWAALVTQXHLB-SGQNLQFHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124178) has functional parent β-amino acid (CHEBI:33706)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124178) is a organonitrogen compound (CHEBI:35352)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124178) is a organooxygen compound (CHEBI:36963)
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