2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-fluorophenyl)acetamide (CHEBI:100838)

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CHEBI:100838 - 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-fluorophenyl)acetamide

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ChEBI ID	CHEBI:100838
ChEBI Name	2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-fluorophenyl)acetamide
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Downloads	Molfile

Formula	C24H25F4N3O6S
Net Charge	0
Average Mass	559.538
Monoisotopic Mass	559.14002
SMILES	CN1C(=O)c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3cccc(F)c3)CC[C@@H]21
InChI	InChI=1S/C24H25F4N3O6S/c1-31-19-7-6-17(11-22(32)29-15-4-2-3-14(25)9-15)37-21(19)12-36-20-8-5-16(10-18(20)23(31)33)30-38(34,35)13-24(26,27)28/h2-5,8-10,17,19,21,30H,6-7,11-13H2,1H3,(H,29,32)/t17-,19+,21-/m1/s1
InChIKey	JANDXLXOJLINPI-SLYNCCJLSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-fluorophenyl)acetamide (CHEBI:100838) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-12212	LINCS