L-Pyroglutamyl-L-Histidyl-3,3-Dimethylprolinamide
[CAS# 76820-40-1]

Identification

• Name: L-Pyroglutamyl-L-Histidyl-3,3-Dimethylprolinamide
• Synonyms: (2S)-1-[(2S)-3-(3H-Imidazol-4-Yl)-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Propanoyl]-3,3-Dimethyl-Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-3-(3H-Imidazol-4-Yl)-1-Oxo-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Propyl]-3,3-Dimethyl-2-Pyrrolidinecarboxamide; (2S)-1-[(2S)-3-(3H-Imidazol-4-Yl)-2-(Pyroglutamoylamino)Propanoyl]-3,3-Dimethyl-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₁₈H₂₆N₆O₄
• Molecular Weight: 390.44
• CAS Registry Number: 76820-40-1
• SMILES: [C@@H]3(N(C(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CC2=CN=C[NH]2)CCC3(C)C)C(=O)N
• InChI: 1S/C18H26N6O4/c1-18(2)5-6-24(14(18)15(19)26)17(28)12(7-10-8-20-9-21-10)23-16(27)11-3-4-13(25)22-11/h8-9,11-12,14H,3-7H2,1-2H3,(H2,19,26)(H,20,21)(H,22,25)(H,23,27)/t11-,12-,14+/m0/s1
• InChIKey: ZEQAPQNFHVYDEL-SGMGOOAPSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 918.284°C at 760 mmHg (Cal.)
• Flash point: 509.16°C (Cal.)