CHEBI:123549 - 1-[(2R,3S,6R)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,3S,6R)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
ChEBI ID CHEBI:123549
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H28FN3O5S
Net Charge 0
Average Mass 417.497
Monoisotopic Mass 417.17337
InChI InChI=1S/C18H28FN3O5S/c1-2-9-20-18(24)22-16-7-6-14(27-17(16)12-23)8-10-21-28(25,26)15-5-3-4-13(19)11-15/h3-5,11,14,16-17,21,23H,2,6-10,12H2,1H3,(H2,20,22,24)/t14-,16+,17+/m1/s1
InChIKey QCWCRAHEENXEDE-PVAVHDDUSA-N
SMILES CCCNC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CCNS(=O)(=O)C2=CC=CC(=C2)F
ChEBI Ontology
Outgoing 1-[(2R,3S,6R)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea (CHEBI:123549) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-34991 LINCS
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