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CHEBI:110320 - 2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

ChEBI IDCHEBI:110320
ChEBI Name2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC25H29N3O5
Net Charge0
Average Mass451.523
Monoisotopic Mass451.21072
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1
InChIInChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)26-13-15-6-7-15)19-10-17(8-9-21(19)33-24)28-25(31)27-16-4-2-1-3-5-16/h1-5,8-10,15,18,20,22,24,29H,6-7,11-14H2,(H,26,30)(H2,27,28,31)/t18-,20-,22+,24+/m0/s1
InChIKeyTUZKBHQBMODFEV-YCYVKTGYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:110320) is a ureas (CHEBI:47857)
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