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CHEBI:117318 - N-[(1R,3S,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]-2-cyclopropylacetamide

ChEBI IDCHEBI:117318
ChEBI NameN-[(1R,3S,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]-2-cyclopropylacetamide
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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)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H34N2O5/c35-19-29-32-27(26-15-24(12-13-28(26)39-32)34-31(37)14-20-6-7-20)16-25(38-29)17-30(36)33-18-21-8-10-23(11-9-21)22-4-2-1-3-5-22/h1-5,8-13,15,20,25,27,29,32,35H,6-7,14,16-19H2,(H,33,36)(H,34,37)/t25-,27+,29+,32-/m0/s1
InChIKeyNKIFYSADZLZERH-CPKYPALVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,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]-2-cyclopropylacetamide (CHEBI:117318) is a biphenyls (CHEBI:22888)
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