Methyl N-(5-Oxo-L-Prolyl)-L-Histidinate
[CAS# 25575-88-6]

Identification

• Name: Methyl N-(5-Oxo-L-Prolyl)-L-Histidinate
• Synonyms: (2S)-3-(3H-Imidazol-4-Yl)-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Propanoic Acid Methyl Ester; (2S)-3-(3H-Imidazol-4-Yl)-2-(Pyroglutamoylamino)Propionic Acid Methyl Ester; Methyl (2S)-3-(3H-Imidazol-4-Yl)-2-[[(2S)-5-Oxopyrrolidin-2-Yl]Carbonylamino]Propanoate
• Molecular Formula: C₁₂H₁₆N₄O₄
• Molecular Weight: 280.28
• CAS Registry Number: 25575-88-6
• EINECS: 247-113-3
• SMILES: [C@@H](NC([C@H]1NC(=O)CC1)=O)(C(=O)OC)CC2=CN=C[NH]2
• InChI: 1S/C12H16N4O4/c1-20-12(19)9(4-7-5-13-6-14-7)16-11(18)8-2-3-10(17)15-8/h5-6,8-9H,2-4H2,1H3,(H,13,14)(H,15,17)(H,16,18)/t8-,9-/m0/s1
• InChIKey: OYBCNAPVAXUGLB-IUCAKERBSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 711.104°C at 760 mmHg (Cal.)
• Flash point: 383.862°C (Cal.)