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CHEBI:129731 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

Default Structure
ChEBI IDCHEBI:129731
ChEBI NameN-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
Stars
DownloadsMolfile
FormulaC31H41F3N4O5
Net Charge0
Average Mass606.686
Monoisotopic Mass606.30291
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H41F3N4O5/c1-21-17-38(22(2)20-39)30(41)26-16-25(35-29(40)10-11-37-12-14-42-15-13-37)8-9-27(26)43-28(21)19-36(3)18-23-4-6-24(7-5-23)31(32,33)34/h4-9,16,21-22,28,39H,10-15,17-20H2,1-3H3,(H,35,40)/t21-,22-,28+/m0/s1
InChIKeyFBDVMTHRQHSDLA-RXYILKCJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:129731) has functional parent β-amino acid (CHEBI:33706)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:129731) is a organonitrogen compound (CHEBI:35352)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:129731) is a organooxygen compound (CHEBI:36963)
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