5-Oxoprolylhistidylprolinamide
[CAS# 117217-40-0]

Identification

• Name: 5-Oxoprolylhistidylprolinamide
• Synonyms: (2S)-N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-2-[(2S)-2-Carbamoyl-1-Pyrrolidinyl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-5-Oxo-2-Pyrrolidinecarboxamide; (2S)-N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₁₆H₂₂N₆O₄
• Molecular Weight: 362.39
• CAS Registry Number: 117217-40-0
• SMILES: [C@@H]3(N(C([C@H](CC1=CN=C[NH]1)NC([C@@H]2CCC(N2)=O)=O)=O)CCC3)C(N)=O
• InChI: 1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
• InChIKey: XNSAINXGIQZQOO-SRVKXCTJSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 978.363°C at 760 mmHg (Cal.)
• Flash point: 545.494°C (Cal.)