N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide (CHEBI:103036)

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CHEBI:103036 - N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide

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ChEBI ID	CHEBI:103036
ChEBI Name	N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide
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Formula	C25H25ClF3N3O5
Net Charge	0
Average Mass	539.938
Monoisotopic Mass	539.14348
SMILES	CN1C(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC(F)(F)F)CC[C@H]21
InChI	InChI=1S/C25H25ClF3N3O5/c1-32-19-8-7-15(11-22(33)30-13-25(27,28)29)37-21(19)12-36-20-9-6-14(10-17(20)24(32)35)31-23(34)16-4-2-3-5-18(16)26/h2-6,9-10,15,19,21H,7-8,11-13H2,1H3,(H,30,33)(H,31,34)/t15-,19-,21+/m1/s1
InChIKey	KEGRQPVLAXHQPZ-VMRPVKRXSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide (CHEBI:103036) is a carbonyl compound (CHEBI:36586)
	N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide (CHEBI:103036) is a organohalogen compound (CHEBI:17792)

Manual Xrefs	Databases
LSM-14382	LINCS