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CHEBI:123068 - 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide

ChEBI IDCHEBI:123068
ChEBI Name2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
Stars
DownloadsMolfile
FormulaC25H31N3O7
Net Charge0
Average Mass485.537
Monoisotopic Mass485.21620
SMILESCOCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@H]2[C@H](CO)O1
InChIInChI=1S/C25H31N3O7/c1-32-10-9-26-23(30)13-18-12-20-19-11-16(5-8-21(19)35-24(20)22(14-29)34-18)28-25(31)27-15-3-6-17(33-2)7-4-15/h3-8,11,18,20,22,24,29H,9-10,12-14H2,1-2H3,(H,26,30)(H2,27,28,31)/t18-,20-,22-,24+/m0/s1
InChIKeyDSSRCRDYJCNLRE-UYLMIGBBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide (CHEBI:123068) is a ureas (CHEBI:47857)
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