gamma-Butyrolactone-gamma-carbonyl-histidyl-prolinamide citrate
[CAS# 77026-81-4]

Identification

• Name: gamma-Butyrolactone-gamma-carbonyl-histidyl-prolinamide citrate
• Synonyms: Citric Acid; (2S)-1-[(2S)-3-(3H-Imidazol-4-Yl)-2-[(5-Oxotetrahydrofuran-2-Carbonyl)Amino]Propanoyl]Pyrrolidine-2-Carboxamide; Citric Acid; (2S)-1-[(2S)-3-(3H-Imidazol-4-Yl)-1-Oxo-2-[[Oxo-(5-Oxo-2-Tetrahydrofuranyl)Methyl]Amino]Propyl]-2-Pyrrolidinecarboxamide; Citric Acid; (2S)-1-[(2S)-3-(3H-Imidazol-4-Yl)-2-[(5-Ketotetrahydrofuran-2-Carbonyl)Amino]Propanoyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₂₂H₂₉N₅O₁₂
• Molecular Weight: 555.50
• CAS Registry Number: 77026-81-4
• SMILES: [C@@H](NC(=O)C1OC(=O)CC1)(C(=O)N2[C@@H](CCC2)C(=O)N)CC3=CN=C[NH]3.C(C(O)(C(=O)O)CC(=O)O)C(=O)O
• InChI: 1S/C16H21N5O5.C6H8O7/c17-14(23)11-2-1-5-21(11)16(25)10(6-9-7-18-8-19-9)20-15(24)12-3-4-13(22)26-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-8,10-12H,1-6H2,(H2,17,23)(H,18,19)(H,20,24);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,11-,12?;/m0./s1
• InChIKey: YYPBZNVNEDBLON-MEMPEZCVSA-N

Properties

• Boiling point: 949.8°C at 760 mmHg (Cal.)
• Flash point: 528.2°C (Cal.)