N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide (CHEBI:100556)

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CHEBI:100556 - N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

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ChEBI ID	CHEBI:100556
ChEBI Name	N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
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Downloads	Molfile

Formula	C29H36N4O6
Net Charge	0
Average Mass	536.629
Monoisotopic Mass	536.26348
SMILES	CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@@H]21
InChI	InChI=1S/C29H36N4O6/c1-33-24-4-3-22(17-27(34)31-13-8-19-6-11-30-12-7-19)39-26(24)18-38-25-5-2-21(16-23(25)29(33)36)32-28(35)20-9-14-37-15-10-20/h2,5-7,11-12,16,20,22,24,26H,3-4,8-10,13-15,17-18H2,1H3,(H,31,34)(H,32,35)/t22-,24-,26+/m0/s1
InChIKey	XUZKWORPTAYLRR-LLZJGCNPSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide (CHEBI:100556) is a aromatic amide (CHEBI:62733)

Manual Xrefs	Databases
LSM-11930	LINCS