2-[(2S,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:99977)

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CHEBI:99977 - 2-[(2S,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

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ChEBI ID	CHEBI:99977
ChEBI Name	2-[(2S,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
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Downloads	Molfile

Formula	C23H25FN2O7S
Net Charge	0
Average Mass	492.525
Monoisotopic Mass	492.13665
SMILES	COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1
InChI	InChI=1S/C23H25FN2O7S/c1-26-19-9-6-16(12-22(27)31-2)33-21(19)13-32-20-10-5-15(11-18(20)23(26)28)25-34(29,30)17-7-3-14(24)4-8-17/h3-5,7-8,10-11,16,19,21,25H,6,9,12-13H2,1-2H3/t16-,19-,21+/m0/s1
InChIKey	QOIMCQVGUSYUFV-NBHGPNQESA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:99977) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-11356	LINCS