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CHEBI:117553 - 2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

ChEBI IDCHEBI:117553
ChEBI Name2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
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DownloadsMolfile
FormulaC22H31N3O5
Net Charge0
Average Mass417.506
Monoisotopic Mass417.22637
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C22H31N3O5/c1-25(2)11-21(28)24-14-5-6-18-16(7-14)17-8-15(29-19(12-26)22(17)30-18)9-20(27)23-10-13-3-4-13/h5-7,13,15,17,19,22,26H,3-4,8-12H2,1-2H3,(H,23,27)(H,24,28)/t15-,17+,19+,22-/m1/s1
InChIKeyPOXOUGQYINQDTJ-TXDFXGTJSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:117553) is a amino acid amide (CHEBI:22475)
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