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CHEBI:131253 - 4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[(1-oxo-2-phenylethyl)amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

ChEBI IDCHEBI:131253
ChEBI Name4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[(1-oxo-2-phenylethyl)amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
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DownloadsMolfile
FormulaC33H39N3O6
Net Charge0
Average Mass573.690
Monoisotopic Mass573.28389
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C33H39N3O6/c1-22-18-36(23(2)21-37)32(39)17-27-16-28(34-31(38)15-24-7-5-4-6-8-24)13-14-29(27)42-30(22)20-35(3)19-25-9-11-26(12-10-25)33(40)41/h4-14,16,22-23,30,37H,15,17-21H2,1-3H3,(H,34,38)(H,40,41)/t22-,23-,30-/m1/s1
InChIKeyVWLXYKZHRWDJAR-IQLGONJTSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[(1-oxo-2-phenylethyl)amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid (CHEBI:131253) is a acetamides (CHEBI:22160)
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