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)

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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 ID	CHEBI:102486
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
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Formula	C30H35N3O8
Net Charge	0
Average Mass	565.623
Monoisotopic Mass	565.24242
SMILES	CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@H]21
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

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
LSM-13835	LINCS