CHEBI:101637 - 2-[(1R,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

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ChEBI Name 2-[(1R,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
ChEBI ID CHEBI:101637
Stars This entity has been manually annotated by a third party.
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Formula C23H26FN3O5
Net Charge 0
Average Mass 443.469
Monoisotopic Mass 443.18565
InChI InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18+,20-,22-/m1/s1
InChIKey HTNOASUNFPMBNX-HOQQESESSA-N
SMILES CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F
ChEBI Ontology
Outgoing 2-[(1R,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:101637) is a ureas (CHEBI:47857)
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