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CHEBI:124317 - 4-(dimethylamino)-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]butanamide

ChEBI IDCHEBI:124317
ChEBI Name4-(dimethylamino)-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]butanamide
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DownloadsMolfile
FormulaC31H45N5O6
Net Charge0
Average Mass583.730
Monoisotopic Mass583.33698
SMILESCOc1ccc(NC(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)CCCN(C)C)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C31H45N5O6/c1-21-18-36(22(2)20-37)30(39)17-23-16-25(32-29(38)8-7-15-34(3)4)11-14-27(23)42-28(21)19-35(5)31(40)33-24-9-12-26(41-6)13-10-24/h9-14,16,21-22,28,37H,7-8,15,17-20H2,1-6H3,(H,32,38)(H,33,40)/t21-,22-,28+/m1/s1
InChIKeyHJLKSNOGFODLMM-XJGOYTCSSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)-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]butanamide (CHEBI:124317) is a ureas (CHEBI:47857)
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