N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide (CHEBI:97466)

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CHEBI:97466 - N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide

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ChEBI ID	CHEBI:97466
ChEBI Name	N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide
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Formula	C33H34N4O5
Net Charge	0
Average Mass	566.658
Monoisotopic Mass	566.25292
SMILES	CC(C)c1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)c5ccc(C#N)cc5)cc4C(=O)N3C)O2)c1
InChI	InChI=1S/C33H34N4O5/c1-20(2)23-5-4-6-24(15-23)35-31(38)17-26-12-13-28-30(42-26)19-41-29-14-11-25(16-27(29)33(40)37(28)3)36-32(39)22-9-7-21(18-34)8-10-22/h4-11,14-16,20,26,28,30H,12-13,17,19H2,1-3H3,(H,35,38)(H,36,39)/t26-,28+,30-/m1/s1
InChIKey	BQLGAUXSBOMGNX-JNQIMCCTSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide (CHEBI:97466) is a benzamides (CHEBI:22702)

Manual Xrefs	Databases
LSM-8845	LINCS