CHEBI:102486 - N-[(2S,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

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ChEBI Name N-[(2S,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide ChEBI ID CHEBI:102486 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H35N3O8 Net Charge 0 Average Mass 565.615 Monoisotopic Mass 565.24242 InChI InChI=1S/C30H35N3O8/c1-33-23-5-4-21(14-28(34)31-15-18-2-6-25-26(12-18)40-17-39-25)41-27(23)16-38-24-7-3-20(13-22(24)30(33)36)32-29(35)19-8-10-37-11-9-19/h2-3,6-7,12-13,19,21,23,27H,4-5,8-11,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,27+/m0/s1 InChIKey JZWHDUCFLDKMHA-VBANMALSSA-N SMILES CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5=CC6=C(C=C5)OCO6 ChEBI Ontology Outgoing N-[(2S,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide (CHEBI:102486) is a benzodioxoles (CHEBI:38298) Manual Xref Database LSM-13835 LINCS View more database links