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CHEBI:97222 - 2-[(1R,3R,4aS,9aR)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

ChEBI IDCHEBI:97222
ChEBI Name2-[(1R,3R,4aS,9aR)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
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DownloadsMolfile
FormulaC29H28FN3O7
Net Charge0
Average Mass549.555
Monoisotopic Mass549.19113
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C29H28FN3O7/c30-21-3-1-2-4-22(21)33-29(36)32-17-6-8-23-19(10-17)20-11-18(39-26(14-34)28(20)40-23)12-27(35)31-13-16-5-7-24-25(9-16)38-15-37-24/h1-10,18,20,26,28,34H,11-15H2,(H,31,35)(H2,32,33,36)/t18-,20+,26-,28-/m1/s1
InChIKeyQUTKLMAKSFRFCA-DHUZCCQOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:97222) is a ureas (CHEBI:47857)
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