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CHEBI:97101 - N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide

ChEBI IDCHEBI:97101
ChEBI NameN-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
Stars
Last Modified7 September 2020
DownloadsMolfile
FormulaC25H29N3O5
Net Charge0
Average Mass451.523
Monoisotopic Mass451.21072
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1
InChIInChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20+,22+,24-/m1/s1
InChIKeyWYDHQCWIOCTAOJ-HJBWUJCXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:97101) is a cyclobutanes (CHEBI:156473)
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:97101) is a furopyran (CHEBI:74927)
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