Chemical Component Summary

Nameprop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
Synonyms"(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE, Bound form"
Identifiersprop-2-enyl (2S)-2-[(2S,3R)-3-acetyloxy-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
FormulaC13 H17 N O5 S
Molecular Weight299.343
TypeNON-POLYMER
Isomeric SMILESC[C@H]([C@@H](C=O)[C@H]1NC(=CS1)C(=O)OCC=C)OC(=O)C
InChIInChI=1S/C13H17NO5S/c1-4-5-18-13(17)11-7-20-12(14-11)10(6-15)8(2)19-9(3)16/h4,6-8,10,12,14H,1,5H2,2-3H3/t8-,10-,12+/m1/s1
InChIKeyKYVQFVHQVGHNFK-UISBYWKRSA-N

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count3
Bond Count37
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB06904 
Name(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE
Groups experimental
Synonyms(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE

Drug Targets

NameTarget SequencePharmacological ActionActions
Signal peptidase IMANMFALILVIATLVTGILWCVDKFFFAPKRRERQAAAQAAAGDSLDKAT...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 131704302