Chemical Component Summary

Name5-N-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid
Synonyms4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Identifiers(4S,5R,6R)-5-acetamido-4-carbamimidamido-6-(methyl-propyl-carbamoyl)-5,6-dihydro-4H-pyran-2-carboxylic acid
FormulaC14 H23 N5 O5
Molecular Weight341.363
TypeL-SACCHARIDE
Isomeric SMILES[H]/N=C(/N)\N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)C(=O)N(C)CCC)C(=O)O
InChIInChI=1S/C14H23N5O5/c1-4-5-19(3)12(21)11-10(17-7(2)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1
InChIKeyQPJWMZVTNXFTKV-JMJZKYOTSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count3
Bond Count47
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03503 
Name4-Acetyl-4-guanidino-6-methyl(propyl)carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid
Groups experimental
Synonyms4-Acetyl-4-guanidino-6-methyl(propyl)carboxamide-4,5-dihydro-2H-pyran-2-carboxylic 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 449379
ChEMBL CHEMBL300461