2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CHEBI:98113)

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CHEBI:98113 - 2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide

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ChEBI ID	CHEBI:98113
ChEBI Name	2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
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Downloads	Molfile

Formula	C30H32FN3O7S
Net Charge	0
Average Mass	597.665
Monoisotopic Mass	597.19450
SMILES	COc1cccc(CNC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NS(=O)(=O)c5ccccc5F)cc4C(=O)N3C)O2)c1
InChI	InChI=1S/C30H32FN3O7S/c1-34-25-12-11-22(16-29(35)32-17-19-6-5-7-21(14-19)39-2)41-27(25)18-40-26-13-10-20(15-23(26)30(34)36)33-42(37,38)28-9-4-3-8-24(28)31/h3-10,13-15,22,25,27,33H,11-12,16-18H2,1-2H3,(H,32,35)/t22-,25+,27-/m1/s1
InChIKey	MRUYUJCJGOFQDV-BUALBWRZSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CHEBI:98113) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-9492	LINCS