N-[(2S,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide (CHEBI:98807)

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CHEBI:98807 - N-[(2S,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide

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ChEBI ID	CHEBI:98807
ChEBI Name	N-[(2S,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide
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Downloads	Molfile

Formula	C31H32FN3O6S
Net Charge	0
Average Mass	593.677
Monoisotopic Mass	593.19958
SMILES	CN1C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)N3CCc4ccccc4C3)CC[C@@H]21
InChI	InChI=1S/C31H32FN3O6S/c1-34-27-11-10-24(17-30(36)35-14-13-20-5-2-3-6-21(20)18-35)41-29(27)19-40-28-12-9-23(16-26(28)31(34)37)33-42(38,39)25-8-4-7-22(32)15-25/h2-9,12,15-16,24,27,29,33H,10-11,13-14,17-19H2,1H3/t24-,27-,29-/m0/s1
InChIKey	ZIFILFAABSOBLR-KMDNEMHUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide (CHEBI:98807) is a isoquinolines (CHEBI:24922)

Manual Xrefs	Databases
LSM-10186	LINCS