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CHEBI:99517 - N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide

ChEBI IDCHEBI:99517
ChEBI NameN-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
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DownloadsMolfile
FormulaC34H34N4O6
Net Charge0
Average Mass594.668
Monoisotopic Mass594.24783
SMILESCc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@@H]2CO3)no1
InChIInChI=1S/C34H34N4O6/c1-21-16-28(37-44-21)33(40)36-25-12-15-30-27(17-25)34(41)38(2)29-14-13-26(43-31(29)20-42-30)18-32(39)35-19-22-8-10-24(11-9-22)23-6-4-3-5-7-23/h3-12,15-17,26,29,31H,13-14,18-20H2,1-2H3,(H,35,39)(H,36,40)/t26-,29+,31+/m0/s1
InChIKeyCOTLGVLRTBZUTQ-QRLJAKNQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide (CHEBI:99517) is a biphenyls (CHEBI:22888)
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