CHEBI:100386 - N-[2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
ChEBI ID CHEBI:100386
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H30FN3O6S
Net Charge 0
Average Mass 459.534
Monoisotopic Mass 459.18394
InChI InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18+,19+/m1/s1
InChIKey JNXYUDJSGYXBCY-NEWSRXKRSA-N
SMILES C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F
ChEBI Ontology
Outgoing N-[2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide (CHEBI:100386) is a amino acid amide (CHEBI:22475)
Manual Xref Database
LSM-11761 LINCS
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