CHEBI:117352 - 2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

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ChEBI Name 2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide ChEBI ID CHEBI:117352 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H31N3O5 Net Charge 0 Average Mass 417.499 Monoisotopic Mass 417.22637 InChI InChI=1S/C22H31N3O5/c1-25(2)20(27)11-15-10-17-16-9-14(24-22(28)23-13-5-3-4-6-13)7-8-18(16)30-21(17)19(12-26)29-15/h7-9,13,15,17,19,21,26H,3-6,10-12H2,1-2H3,(H2,23,24,28)/t15-,17+,19+,21-/m1/s1 InChIKey ZQPIRYHZQRYESG-ZWVMGRIOSA-N SMILES CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCC4 ChEBI Ontology Outgoing 2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:117352) is a furopyran (CHEBI:74927) Manual Xref Database LSM-28801 LINCS View more database links