2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide (CHEBI:99214)

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CHEBI:99214 - 2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide

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ChEBI ID	CHEBI:99214
ChEBI Name	2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
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Downloads	Molfile

Formula	C27H33N3O6
Net Charge	0
Average Mass	495.576
Monoisotopic Mass	495.23694
SMILES	COCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1
InChI	InChI=1S/C27H33N3O6/c1-30-22-10-9-20(16-25(31)28-12-13-34-2)36-24(22)17-35-23-11-8-19(15-21(23)27(30)33)29-26(32)14-18-6-4-3-5-7-18/h3-8,11,15,20,22,24H,9-10,12-14,16-17H2,1-2H3,(H,28,31)(H,29,32)/t20-,22+,24+/m0/s1
InChIKey	CUJGJHGFROPBKV-BGWNEDDSSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide (CHEBI:99214) is a acetamides (CHEBI:22160)

Manual Xrefs	Databases
LSM-10593	LINCS