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CHEBI:100815 - 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-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:100815
ChEBI Name2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-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
FormulaC22H29FN4O6S
Net Charge0
Average Mass496.561
Monoisotopic Mass496.17918
SMILESCn1cnc(S(=O)(=O)N2C[C@@H](O)COC[C@@H]3O[C@@H](CC(=O)NCc4cccc(F)c4)CC[C@H]32)c1
InChIInChI=1S/C22H29FN4O6S/c1-26-11-22(25-14-26)34(30,31)27-10-17(28)12-32-13-20-19(27)6-5-18(33-20)8-21(29)24-9-15-3-2-4-16(23)7-15/h2-4,7,11,14,17-20,28H,5-6,8-10,12-13H2,1H3,(H,24,29)/t17-,18-,19-,20+/m1/s1
InChIKeyPSOMVEOYXZFBLO-WTGUMLROSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-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:100815) is a organofluorine compound (CHEBI:37143)
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