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CHEBI:117357 - 2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide

ChEBI IDCHEBI:117357
ChEBI Name2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC27H27FN4O5
Net Charge0
Average Mass506.534
Monoisotopic Mass506.19655
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1
InChIInChI=1S/C27H27FN4O5/c28-21-3-1-2-4-22(21)32-27(35)31-17-5-6-23-19(11-17)20-12-18(36-24(15-33)26(20)37-23)13-25(34)30-14-16-7-9-29-10-8-16/h1-11,18,20,24,26,33H,12-15H2,(H,30,34)(H2,31,32,35)/t18-,20-,24+,26+/m1/s1
InChIKeyUYPIQWDIZXMNDJ-ODQDCYGBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:117357) is a ureas (CHEBI:47857)
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