Epithienamycin E
CAS Registry Number®
79057-46-8
CAS Name
Epithienamycin EMolecular Formula
C13H16N2O8S2Molecular Mass
392.40Cite this Page
Epithienamycin E. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=79057-46-8 (retrieved ) (CAS RN: 79057-46-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C13H16N2O8S2/c1-6(23-25(20,21)22)10-8-5-9(24-4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,20,21,22)/b4-3+/t6-,8+,10-/m0/s1
InChIKey
InChIKey=FQQFFZPBGYGDSX-NJFHWYBASA-N
SMILES
[C@H](OS(=O)(=O)O)(C)[C@]1([C@@]2(N(C(C(O)=O)=C(S/C=C/NC(C)=O)C2)C1=O)[H])[H]
Canonical SMILES
O=C(O)C1=C(SC=CNC(=O)C)CC2N1C(=O)C2C(OS(=O)(=O)O)C
Other Names for this Substance
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(1E)-2-(acetylamino)ethenyl]thio]-7-oxo-6-[(1S)-1-(sulfooxy)ethyl]-, (5R,6R)-
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-(acetylamino)ethenyl]thio]-7-oxo-6-[1-(sulfooxy)ethyl]-, [5R-[3(E),5α,6β(S*)]]-
- (5R,6R)-3-[[(1E)-2-(Acetylamino)ethenyl]thio]-7-oxo-6-[(1S)-1-(sulfooxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- Epithienamycin E
Deleted or Replaced CAS Registry Numbers
78971-70-7