CHEBI:118588 - 2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide

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ChEBI Name 2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide
ChEBI ID CHEBI:118588
Stars This entity has been manually annotated by a third party.
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Formula C21H27N3O6S
Net Charge 0
Average Mass 449.522
Monoisotopic Mass 449.16206
InChI InChI=1S/C21H27N3O6S/c1-29-16-3-2-4-18(11-16)31(27,28)24-19-6-5-17(30-20(19)14-25)12-21(26)23-13-15-7-9-22-10-8-15/h2-4,7-11,17,19-20,24-25H,5-6,12-14H2,1H3,(H,23,26)/t17-,19-,20+/m0/s1
InChIKey XDZGUUVZSOVFIF-YSIASYRMSA-N
SMILES COC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC=NC=C3
ChEBI Ontology
Outgoing 2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:118588) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
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