N-[(2S,4aS,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide (CHEBI:99914)

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CHEBI:99914 - N-[(2S,4aS,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide

Default Structure

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ChEBI ID	CHEBI:99914
ChEBI Name	N-[(2S,4aS,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide
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Downloads	Molfile

Formula	C28H33N3O6
Net Charge	0
Average Mass	507.587
Monoisotopic Mass	507.23694
SMILES	COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NCC4CC4)O[C@H]2CO3)cc1
InChI	InChI=1S/C28H33N3O6/c1-31-23-11-10-21(14-26(32)29-15-17-3-4-17)37-25(23)16-36-24-12-7-19(13-22(24)28(31)34)30-27(33)18-5-8-20(35-2)9-6-18/h5-9,12-13,17,21,23,25H,3-4,10-11,14-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23-,25-/m0/s1
InChIKey	IGRBOWQNYYEHHT-RSEQLOHWSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aS,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide (CHEBI:99914) is a benzamides (CHEBI:22702)

Manual Xrefs	Databases
LSM-11293	LINCS