CHEBI:110431 - 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-phenylethyl)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-phenylethyl)acetamide ChEBI ID CHEBI:110431 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 C29H30FN3O5 Net Charge 0 Average Mass 519.565 Monoisotopic Mass 519.21695 InChI InChI=1S/C29H30FN3O5/c30-23-8-4-5-9-24(23)33-29(36)32-19-10-11-25-21(14-19)22-15-20(37-26(17-34)28(22)38-25)16-27(35)31-13-12-18-6-2-1-3-7-18/h1-11,14,20,22,26,28,34H,12-13,15-17H2,(H,31,35)(H2,32,33,36)/t20-,22-,26+,28+/m1/s1 InChIKey OEYUNRREIFVABF-OEZGUAFWSA-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)NCCC5=CC=CC=C5 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-phenylethyl)acetamide (CHEBI:110431) is a ureas (CHEBI:47857) Manual Xref Database LSM-21878 LINCS View more database links