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CHEBI:100631 - 2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide

ChEBI IDCHEBI:100631
ChEBI Name2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC28H29N3O5
Net Charge0
Average Mass487.556
Monoisotopic Mass487.21072
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1
InChIInChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23+,25+,27-/m1/s1
InChIKeyHYQMBLXITOJPAN-WFHOOFKDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide (CHEBI:100631) is a ureas (CHEBI:47857)
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