Pyroglutamyl-Histidyl-Alanine
[CAS# 82780-19-6]

Identification

• Name: Pyroglutamyl-Histidyl-Alanine
• Synonyms: (2R)-2-[[(2S)-3-(3H-Imidazol-4-Yl)-1-Oxo-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Propyl]Amino]Propanoic Acid; (2R)-2-[[(2S)-3-(3H-Imidazol-4-Yl)-2-(Pyroglutamoylamino)Propanoyl]Amino]Propionic Acid; (2R)-2-[[(2S)-3-(3H-Imidazol-4-Yl)-2-[[(2S)-5-Oxopyrrolidin-2-Yl]Carbonylamino]Propanoyl]Amino]Propanoic Acid
• Molecular Formula: C₁₄H₁₉N₅O₅
• Molecular Weight: 337.33
• CAS Registry Number: 82780-19-6
• SMILES: [C@@H]1(NC(=O)CC1)C(=O)N[C@@H](CC2=CN=C[NH]2)C(=O)N[C@H](C)C(O)=O
• InChI: 1S/C14H19N5O5/c1-7(14(23)24)17-13(22)10(4-8-5-15-6-16-8)19-12(21)9-2-3-11(20)18-9/h5-7,9-10H,2-4H2,1H3,(H,15,16)(H,17,22)(H,18,20)(H,19,21)(H,23,24)/t7-,9+,10+/m1/s1
• InChIKey: NGNCHLZYBLGYLJ-JEZHCXPESA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 970.607°C at 760 mmHg (Cal.)
• Flash point: 540.804°C (Cal.)