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CHEBI:110382 - 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-(2-methoxyethyl)acetamide

ChEBI IDCHEBI:110382
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-(2-methoxyethyl)acetamide
Stars
DownloadsMolfile
FormulaC23H33N3O6
Net Charge0
Average Mass447.532
Monoisotopic Mass447.23694
SMILESCOCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1
InChIInChI=1S/C23H33N3O6/c1-30-9-8-24-21(28)12-16-11-18-17-10-15(26-23(29)25-14-4-2-3-5-14)6-7-19(17)32-22(18)20(13-27)31-16/h6-7,10,14,16,18,20,22,27H,2-5,8-9,11-13H2,1H3,(H,24,28)(H2,25,26,29)/t16-,18+,20-,22-/m1/s1
InChIKeyVPKMSVVJWJDGNW-HOQQESESSA-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-(2-methoxyethyl)acetamide (CHEBI:110382) is a furopyran (CHEBI:74927)
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