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CHEBI:122977 - N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide

ChEBI IDCHEBI:122977
ChEBI NameN-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
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DownloadsMolfile
FormulaC32H34N2O5
Net Charge0
Average Mass526.633
Monoisotopic Mass526.24677
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H34N2O5/c35-19-29-31-27(26-15-24(13-14-28(26)39-31)34-32(37)23-7-4-8-23)16-25(38-29)17-30(36)33-18-20-9-11-22(12-10-20)21-5-2-1-3-6-21/h1-3,5-6,9-15,23,25,27,29,31,35H,4,7-8,16-19H2,(H,33,36)(H,34,37)/t25-,27-,29+,31+/m1/s1
InChIKeyDTKVBNZNKFXGOR-FKUMXQRRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:122977) is a biphenyls (CHEBI:22888)
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