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CHEBI:122872 - 2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

ChEBI IDCHEBI:122872
ChEBI Name2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
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DownloadsMolfile
FormulaC24H33N3O5
Net Charge0
Average Mass443.544
Monoisotopic Mass443.24202
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1
InChIInChI=1S/C24H33N3O5/c28-13-21-23-19(10-17(31-21)11-22(29)25-12-14-5-6-14)18-9-16(7-8-20(18)32-23)27-24(30)26-15-3-1-2-4-15/h7-9,14-15,17,19,21,23,28H,1-6,10-13H2,(H,25,29)(H2,26,27,30)/t17-,19+,21-,23-/m1/s1
InChIKeyZRCRXWGBTMXJDJ-GUBFDYSESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:122872) is a furopyran (CHEBI:74927)
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