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CHEBI:97937 - 2-[(1S,3S,4aR,9aS)-6-(cyclopentylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

ChEBI IDCHEBI:97937
ChEBI Name2-[(1S,3S,4aR,9aS)-6-(cyclopentylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
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DownloadsMolfile
FormulaC27H32FN3O5
Net Charge0
Average Mass497.567
Monoisotopic Mass497.23260
SMILESO=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1F
InChIInChI=1S/C27H32FN3O5/c28-22-8-4-1-5-16(22)14-29-25(33)13-19-12-21-20-11-18(31-27(34)30-17-6-2-3-7-17)9-10-23(20)36-26(21)24(15-32)35-19/h1,4-5,8-11,17,19,21,24,26,32H,2-3,6-7,12-15H2,(H,29,33)(H2,30,31,34)/t19-,21+,24-,26-/m0/s1
InChIKeyMSBIHNOYSLVJHR-YPLHNQGHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-6-(cyclopentylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:97937) is a furopyran (CHEBI:74927)
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