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CHEBI:111753 - N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:111753
ChEBI NameN-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
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DownloadsMolfile
FormulaC31H42N4O6
Net Charge0
Average Mass566.699
Monoisotopic Mass566.31044
SMILESCOc1ccc(NC(=O)N(C)C[C@@H]2Oc3c(NC(=O)C4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C31H42N4O6/c1-20-17-35(21(2)19-36)30(38)25-11-8-12-26(33-29(37)22-9-6-5-7-10-22)28(25)41-27(20)18-34(3)31(39)32-23-13-15-24(40-4)16-14-23/h8,11-16,20-22,27,36H,5-7,9-10,17-19H2,1-4H3,(H,32,39)(H,33,37)/t20-,21-,27+/m1/s1
InChIKeyLSKFJJLXCXBANC-GNMOFYLKSA-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-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide (CHEBI:111753) is a ureas (CHEBI:47857)
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