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CHEBI:100598 - 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide

Default Structure
ChEBI IDCHEBI:100598
ChEBI Name2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC22H28FN3O5
Net Charge0
Average Mass433.480
Monoisotopic Mass433.20130
SMILESO=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cocn2)O1)NCc1cccc(F)c1
InChIInChI=1S/C22H28FN3O5/c23-16-3-1-2-15(6-16)8-24-22(28)7-19-4-5-20-21(31-19)13-29-12-18(27)10-26(20)9-17-11-30-14-25-17/h1-3,6,11,14,18-21,27H,4-5,7-10,12-13H2,(H,24,28)/t18-,19-,20+,21-/m1/s1
InChIKeyZRFCXMMZEGBTOS-MXEMCNAFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:100598) is a organofluorine compound (CHEBI:37143)
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