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CHEBI:99449 - N-[(1R,3S,4aR,9aS)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide

ChEBI IDCHEBI:99449
ChEBI NameN-[(1R,3S,4aR,9aS)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
Stars
Last Modified7 September 2020
DownloadsMolfile
FormulaC24H32N2O5
Net Charge0
Average Mass428.529
Monoisotopic Mass428.23112
SMILESO=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1
InChIInChI=1S/C24H32N2O5/c27-13-21-23-19(11-17(30-21)12-22(28)25-15-6-1-2-7-15)18-10-16(8-9-20(18)31-23)26-24(29)14-4-3-5-14/h8-10,14-15,17,19,21,23,27H,1-7,11-13H2,(H,25,28)(H,26,29)/t17-,19+,21+,23-/m0/s1
InChIKeyMOMUNQNAFOIKEQ-GBPFJNKXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aR,9aS)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:99449) is a cyclobutanes (CHEBI:156473)
N-[(1R,3S,4aR,9aS)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:99449) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-10828LINCS