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CHEBI:123626 - N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide

Default Structure
ChEBI IDCHEBI:123626
ChEBI NameN-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
Stars
DownloadsMolfile
FormulaC31H42FN5O6
Net Charge0
Average Mass599.704
Monoisotopic Mass599.31191
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C31H42FN5O6/c1-21-18-37(22(2)20-38)30(40)17-23-16-26(33-29(39)10-11-36-12-14-42-15-13-36)8-9-27(23)43-28(21)19-35(3)31(41)34-25-6-4-24(32)5-7-25/h4-9,16,21-22,28,38H,10-15,17-20H2,1-3H3,(H,33,39)(H,34,41)/t21-,22-,28-/m1/s1
InChIKeyLXCWKQPRIQQYET-DQCZWYHMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:123626) has functional parent β-amino acid (CHEBI:33706)
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:123626) is a organonitrogen compound (CHEBI:35352)
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:123626) is a organooxygen compound (CHEBI:36963)
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