Chemical Component Summary

Name5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Identifiers5-[(3aR,6S,6aS)-3-ethanoyl-2-oxidanylidene-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid
FormulaC12 H18 N2 O4 S
Molecular Weight286.347
TypeNON-POLYMER
Isomeric SMILESCC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-7(15)14-8-6-19-9(11(8)13-12(14)18)4-2-3-5-10(16)17/h8-9,11H,2-6H2,1H3,(H,13,18)(H,16,17)/t8-,9-,11-/m0/s1
InChIKeyLXKFOEIWWHPOIN-QXEWZRGKSA-N

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count3
Bond Count38
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 54751691