CHEBI:100130 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide

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ChEBI Name 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide ChEBI ID CHEBI:100130 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 C21H25N3O6S Net Charge 0 Average Mass 447.507 Monoisotopic Mass 447.14641 InChI InChI=1S/C21H25N3O6S/c1-31(27,28)24-13-5-6-18-16(8-13)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-14-4-2-3-7-22-14/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17+,19+,21-/m1/s1 InChIKey JZVGIVMTJSWJDH-ZWVMGRIOSA-N SMILES CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=N4 ChEBI Ontology Outgoing 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide (CHEBI:100130) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-11509 LINCS View more database links