N-[(2S,4aS,12aR)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide (CHEBI:99419)

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CHEBI:99419 - N-[(2S,4aS,12aR)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide

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ChEBI ID	CHEBI:99419
ChEBI Name	N-[(2S,4aS,12aR)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide
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Formula	C30H36FN3O5
Net Charge	0
Average Mass	537.632
Monoisotopic Mass	537.26390
SMILES	CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccccc3F)CC[C@@H]21
InChI	InChI=1S/C30H36FN3O5/c1-34-25-13-12-22(16-28(35)32-17-20-9-5-6-10-24(20)31)39-27(25)18-38-26-14-11-21(15-23(26)30(34)37)33-29(36)19-7-3-2-4-8-19/h5-6,9-11,14-15,19,22,25,27H,2-4,7-8,12-13,16-18H2,1H3,(H,32,35)(H,33,36)/t22-,25-,27-/m0/s1
InChIKey	CEZHWMAQWNYMAY-LNBJVWSJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aS,12aR)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide (CHEBI:99419) is a aromatic amide (CHEBI:62733)

Manual Xrefs	Databases
LSM-10798	LINCS