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CHEBI:99110 - N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:99110
ChEBI NameN-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide
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DownloadsMolfile
FormulaC27H31N3O7
Net Charge0
Average Mass509.559
Monoisotopic Mass509.21620
SMILESCCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1
InChIInChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20-,24-/m0/s1
InChIKeyOHHWUSSTVAUIQP-WXVUKLJWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:99110) is a benzodioxoles (CHEBI:38298)
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