CHEBI:117347 - 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-(2-pyridinylmethyl)acetamide

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ChEBI Name 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-(2-pyridinylmethyl)acetamide
ChEBI ID CHEBI:117347
Stars This entity has been manually annotated by a third party.
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Formula C27H27FN4O5
Net Charge 0
Average Mass 506.527
Monoisotopic Mass 506.19655
InChI InChI=1S/C27H27FN4O5/c28-21-6-1-2-7-22(21)32-27(35)31-16-8-9-23-19(11-16)20-12-18(36-24(15-33)26(20)37-23)13-25(34)30-14-17-5-3-4-10-29-17/h1-11,18,20,24,26,33H,12-15H2,(H,30,34)(H2,31,32,35)/t18-,20-,24+,26+/m1/s1
InChIKey RSFFUNGNZPVVNQ-ODQDCYGBSA-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)NCC5=CC=CC=N5
ChEBI Ontology
Outgoing 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-(2-pyridinylmethyl)acetamide (CHEBI:117347) is a ureas (CHEBI:47857)
Manual Xref Database
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