Epithienamycin E
[CAS# 79057-46-8]

Identification

• Name: Epithienamycin E
• Synonyms: (5R,6R)-3-[(E)-2-Acetamidovinyl]Sulfanyl-7-Oxo-6-(1-Sulfooxyethyl)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-[[(E)-2-Acetamidovinyl]Thio]-7-Oxo-6-(1-Sulfooxyethyl)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-[[(E)-2-Acetamidovinyl]Thio]-7-Keto-6-(1-Sulfoxyethyl)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₆N₂O₈S₂
• Molecular Weight: 392.40
• CAS Registry Number: 79057-46-8
• SMILES: [C@H]12N(C(=O)[C@H]1C(O[S](=O)(=O)O)C)C(=C(S\C=C\NC(=O)C)C2)C(=O)O
• 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+/m1/s1
• InChIKey: FQQFFZPBGYGDSX-RVQBQFQZSA-N

Properties

• Density: 1.682g/cm³ (Cal.)