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CHEBI:98276 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

ChEBI IDCHEBI:98276
ChEBI Name2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
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DownloadsMolfile
FormulaC30H33N3O6
Net Charge0
Average Mass531.609
Monoisotopic Mass531.23694
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)NCCc4ccccc4)O[C@@H](CO)[C@@H]2O3)cc1
InChIInChI=1S/C30H33N3O6/c1-37-22-10-7-20(8-11-22)32-30(36)33-21-9-12-26-24(15-21)25-16-23(38-27(18-34)29(25)39-26)17-28(35)31-14-13-19-5-3-2-4-6-19/h2-12,15,23,25,27,29,34H,13-14,16-18H2,1H3,(H,31,35)(H2,32,33,36)/t23-,25+,27+,29-/m1/s1
InChIKeyFOSRSIPYUZSGIW-KYYACDKCSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:98276) is a ureas (CHEBI:47857)
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