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CHEBI:111628 - N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide

ChEBI IDCHEBI:111628
ChEBI NameN-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
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DownloadsMolfile
FormulaC33H40N4O6
Net Charge0
Average Mass588.705
Monoisotopic Mass588.29478
SMILESCOc1ccc(NC(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)Cc4ccccc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C33H40N4O6/c1-22-19-37(23(2)21-38)32(40)18-25-17-27(34-31(39)16-24-8-6-5-7-9-24)12-15-29(25)43-30(22)20-36(3)33(41)35-26-10-13-28(42-4)14-11-26/h5-15,17,22-23,30,38H,16,18-21H2,1-4H3,(H,34,39)(H,35,41)/t22-,23-,30+/m1/s1
InChIKeyCGYYYKYOQGTOJG-JWUQWVJQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide (CHEBI:111628) is a ureas (CHEBI:47857)
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