CHEBI:122940 - 2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

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ChEBI Name 2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
ChEBI ID CHEBI:122940
Stars This entity has been manually annotated by a third party.
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Formula C23H23F4N3O5
Net Charge 0
Average Mass 497.440
Monoisotopic Mass 497.15738
InChI InChI=1S/C23H23F4N3O5/c24-16-3-1-2-4-17(16)30-22(33)29-12-5-6-18-14(7-12)15-8-13(34-19(10-31)21(15)35-18)9-20(32)28-11-23(25,26)27/h1-7,13,15,19,21,31H,8-11H2,(H,28,32)(H2,29,30,33)/t13-,15+,19-,21-/m0/s1
InChIKey JNBFYQYHHCPVEU-FPDBKICDSA-N
SMILES C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC(F)(F)F
ChEBI Ontology
Outgoing 2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CHEBI:122940) is a ureas (CHEBI:47857)
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