CHEBI:98139 - 2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide

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ChEBI Name 2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide ChEBI ID CHEBI:98139 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 C33H31FN2O7S Net Charge 0 Average Mass 618.674 Monoisotopic Mass 618.18360 InChI InChI=1S/C33H31FN2O7S/c34-22-8-13-27(14-9-22)44(39,40)36-23-10-15-30-28(16-23)29-17-26(42-31(20-37)33(29)43-30)18-32(38)35-19-21-6-11-25(12-7-21)41-24-4-2-1-3-5-24/h1-16,26,29,31,33,36-37H,17-20H2,(H,35,38)/t26-,29+,31-,33-/m1/s1 InChIKey BHEWHBNGLCOXBN-WQUCLCEVSA-N SMILES C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6 ChEBI Ontology Outgoing 2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide (CHEBI:98139) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-9518 LINCS View more database links