N-[(2R,4aS,12aS)-2-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide (CHEBI:102954)

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CHEBI:102954 - N-[(2R,4aS,12aS)-2-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide

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ChEBI ID	CHEBI:102954
ChEBI Name	N-[(2R,4aS,12aS)-2-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide
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Downloads	Molfile

Formula	C30H26F2N4O5
Net Charge	0
Average Mass	560.557
Monoisotopic Mass	560.18713
SMILES	CN1C(=O)c2cc(NC(=O)c3ccc(C#N)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3cc(F)ccc3F)CC[C@@H]21
InChI	InChI=1S/C30H26F2N4O5/c1-36-25-10-8-21(14-28(37)35-24-12-19(31)6-9-23(24)32)41-27(25)16-40-26-11-7-20(13-22(26)30(36)39)34-29(38)18-4-2-17(15-33)3-5-18/h2-7,9,11-13,21,25,27H,8,10,14,16H2,1H3,(H,34,38)(H,35,37)/t21-,25+,27-/m1/s1
InChIKey	HZZMILAACSDJOI-NKPLSRDGSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,4aS,12aS)-2-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide (CHEBI:102954) is a benzamides (CHEBI:22702)

Manual Xrefs	Databases
LSM-14300	LINCS