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CHEBI:98033 - N-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:98033
ChEBI NameN-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
Stars
DownloadsMolfile
FormulaC29H26F2N2O7
Net Charge0
Average Mass552.530
Monoisotopic Mass552.17081
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F
InChIInChI=1S/C29H26F2N2O7/c30-17-2-4-22(31)16(7-17)12-32-27(35)11-19-10-21-20-9-18(3-6-23(20)40-28(21)26(13-34)39-19)33-29(36)15-1-5-24-25(8-15)38-14-37-24/h1-9,19,21,26,28,34H,10-14H2,(H,32,35)(H,33,36)/t19-,21-,26+,28+/m0/s1
InChIKeyJRAPIMFHFBSUKE-BJSMQDGRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:98033) is a furopyran (CHEBI:74927)
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