Bacilysin
[CAS# 1395-22-8]

Identification

• Name: Bacilysin
• Synonyms: (2S)-2-Amino-3-[(1R,6R)-5-Oxo-7-Oxabicyclo[4.1.0]Heptan-2-Yl]Propanoic Acid [(2S)-2-Amino-1-Oxopropyl] Ester; (2S)-2-Amino-3-[(1R,6R)-5-Keto-7-Oxabicyclo[4.1.0]Heptan-2-Yl]Propionic Acid Alanyl Ester; 7-Oxabicyclo(4.1.0)Heptane-2-Propionic Acid, Alpha-(2-Aminopropionamido)-5-Oxo-, Stereoisomer
• Molecular Formula: C₁₂H₁₈N₂O₅
• Molecular Weight: 270.28
• CAS Registry Number: 1395-22-8 (29393-20-2)
• SMILES: [C@H]12O[C@H]1C(=O)CCC2C[C@H](N)C(OC(=O)[C@@H](N)C)=O
• InChI: 1S/C12H18N2O5/c1-5(13)11(16)19-12(17)7(14)4-6-2-3-8(15)10-9(6)18-10/h5-7,9-10H,2-4,13-14H2,1H3/t5-,6?,7-,9+,10-/m0/s1
• InChIKey: JJOSOKMLZZVGKD-INVWQFOESA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 422.213°C at 760 mmHg (Cal.)
• Flash point: 198.495°C (Cal.)