Chemical Component Summary

Name5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID
Identifiers(2R,4R,5R)-5-[(1S)-1-acetamido-3-methyl-butyl]-4-methoxycarbonyl-oxolane-2-carboxylic acid
FormulaC14 H23 N O6
Molecular Weight301.336
TypeNON-POLYMER
Isomeric SMILESCC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](O1)C(=O)O)C(=O)OC)NC(=O)C
InChIInChI=1S/C14H23NO6/c1-7(2)5-10(15-8(3)16)12-9(14(19)20-4)6-11(21-12)13(17)18/h7,9-12H,5-6H2,1-4H3,(H,15,16)(H,17,18)/t9-,10+,11-,12-/m1/s1
InChIKeyMUJPWSPVNZGJOW-WRWGMCAJSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count4
Bond Count44
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03257 
Name5-[1-(Acetylamino)-3-Methylbutyl]-2,5-Anhydro-3,4-Dideoxy-4-(Methoxycarbonyl)Pentonic Acid
Groups experimental
Synonyms5-[1-(Acetylamino)-3-Methylbutyl]-2,5-Anhydro-3,4-Dideoxy-4-(Methoxycarbonyl)Pentonic Acid

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 449201
ChEMBL CHEMBL183817