Chemical Component Summary

Name5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid
Synonyms5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Identifiers(2~{R},3~{R},4~{S})-3-acetamido-4-azanyl-2-(diethylcarbamoyl)-3,4-dihydro-2~{H}-pyran-6-carboxylic acid
FormulaC13 H21 N3 O5
Molecular Weight299.323
TypeL-SACCHARIDE
Isomeric SMILESCCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C
InChIInChI=1S/C13H21N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1
InChIKeyYQUCNOUQEZHVSC-JMJZKYOTSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count3
Bond Count42
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02529 
Name(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)oxane-2-carboxylic acid
Groups experimental
Synonyms(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)oxane-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 449380
ChEMBL CHEMBL317645