CHEBI:110260 - N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

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ChEBI Name N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
ChEBI ID CHEBI:110260
Stars This entity has been manually annotated by a third party.
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Formula C26H29FN2O5
Net Charge 0
Average Mass 468.518
Monoisotopic Mass 468.20605
InChI InChI=1S/C26H29FN2O5/c27-17-3-1-2-16(8-17)13-28-24(31)12-19-11-21-20-10-18(29-25(32)9-15-4-5-15)6-7-22(20)34-26(21)23(14-30)33-19/h1-3,6-8,10,15,19,21,23,26,30H,4-5,9,11-14H2,(H,28,31)(H,29,32)/t19-,21-,23-,26+/m1/s1
InChIKey XOEUNFVLCGVFNC-INZVZTLUSA-N
SMILES C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC(=CC=C5)F
ChEBI Ontology
Outgoing N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:110260) is a furopyran (CHEBI:74927)
Manual Xref Database
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