CHEBI:102899 - 2-[(2S,4aR,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 Name 2-[(2S,4aR,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 ID CHEBI:102899 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H25FN2O7S Net Charge 0 Average Mass 492.519 Monoisotopic Mass 492.13665 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-LDQXTDLNSA-N SMILES CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)OC ChEBI Ontology Outgoing 2-[(2S,4aR,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:102899) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-14245 LINCS View more database links