2-[(2S,4aR,12aS)-8-[[(3,4-difluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:128409)

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CHEBI:128409 - 2-[(2S,4aR,12aS)-8-[[(3,4-difluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

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ChEBI ID	CHEBI:128409
ChEBI Name	2-[(2S,4aR,12aS)-8-[[(3,4-difluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
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Downloads	Molfile

Formula	C31H32F2N4O6
Net Charge	0
Average Mass	594.615
Monoisotopic Mass	594.22899
SMILES	COc1ccccc1CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1
InChI	InChI=1S/C31H32F2N4O6/c1-37-25-11-9-21(15-29(38)34-16-18-5-3-4-6-26(18)41-2)43-28(25)17-42-27-12-8-19(13-22(27)30(37)39)35-31(40)36-20-7-10-23(32)24(33)14-20/h3-8,10,12-14,21,25,28H,9,11,15-17H2,1-2H3,(H,34,38)(H2,35,36,40)/t21-,25+,28+/m0/s1
InChIKey	GFNSWXFTZDIFMO-GOEWEAILSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aR,12aS)-8-[[(3,4-difluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:128409) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-39964	LINCS