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CHEBI:97977 - 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide

ChEBI IDCHEBI:97977
ChEBI Name2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
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DownloadsMolfile
FormulaC28H35N3O6
Net Charge0
Average Mass509.603
Monoisotopic Mass509.25259
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)NC4CCCCC4)O[C@H](CO)[C@@H]2O3)cc1
InChIInChI=1S/C28H35N3O6/c1-35-20-10-7-18(8-11-20)30-28(34)31-19-9-12-24-22(13-19)23-14-21(36-25(16-32)27(23)37-24)15-26(33)29-17-5-3-2-4-6-17/h7-13,17,21,23,25,27,32H,2-6,14-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23-,25+,27+/m0/s1
InChIKeyATPIYVGDEBDNGC-JZEPBHRJSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide (CHEBI:97977) is a ureas (CHEBI:47857)
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LSM-9356LINCS