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CHEBI:98401 - N-[(1S,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide

ChEBI IDCHEBI:98401
ChEBI NameN-[(1S,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide
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DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1
InChIInChI=1S/C26H31N3O5/c30-15-23-25-21(12-19(33-23)13-24(31)28-17-6-2-1-3-7-17)20-11-18(8-9-22(20)34-25)29-26(32)16-5-4-10-27-14-16/h4-5,8-11,14,17,19,21,23,25,30H,1-3,6-7,12-13,15H2,(H,28,31)(H,29,32)/t19-,21-,23-,25+/m0/s1
InChIKeyCCIDSNZUNACLPU-YALMDMJRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide (CHEBI:98401) is a furopyran (CHEBI:74927)
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