Diphthine
[CAS# 75645-23-7]

Identification

• Name: Diphthine
• Synonyms: (E)-2-Amino-4-[5-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-1,1,3-Trimethyl-2H-Imidazol-1-Ium-2-Yl]But-3-Enoate; (E)-2-Amino-4-[5-(2-Amino-3-Hydroxy-3-Keto-Propyl)-1,1,3-Trimethyl-2H-Imidazol-1-Ium-2-Yl]But-3-Enoate; Diphthine
• Molecular Formula: C₁₃H₂₂N₄O₄
• Molecular Weight: 298.34
• CAS Registry Number: 75645-23-7
• SMILES: C(C1=CN(C([N+]1(C)C)\C=C\C(N)C([O-])=O)C)C(N)C(=O)O
• InChI: 1S/C13H22N4O4/c1-16-7-8(6-10(15)13(20)21)17(2,3)11(16)5-4-9(14)12(18)19/h4-5,7,9-11H,6,14-15H2,1-3H3,(H-,18,19,20,21)/b5-4+
• InChIKey: LBAPXSZOLVAGQW-SNAWJCMRSA-N