G39

(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid


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Chemical Component Summary

Name(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
SynonymsOseltamivir carboxylate
Identifiers(3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid
FormulaC14 H24 N2 O4
Molecular Weight284.351
TypeNON-POLYMER
Isomeric SMILESCCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
InChIKeyNENPYTRHICXVCS-YNEHKIRRSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count3
Bond Count44
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02600 
NameOseltamivir acid
Groups experimental
Synonyms
  • Oseltamivir carboxylate
  • Oseltamivir acid
  • Oseltamivir free acid
Categories
  • Acetamides
  • Acetates
  • Acids, Acyclic
  • Amides
  • Anti-Infective Agents
CAS number187227-45-8

Drug Targets

NameTarget SequencePharmacological ActionActions
NeuraminidaseMNPNQKILCTSATALVIGTIAVLIGITNLGLNIGLHLKPSCNCSHSQPEA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 449381, 44310478
ChEMBL CHEMBL674
ChEBI CHEBI:73139