5-Oxoprolyl-4(5)-Iodohistidyl-Prolinamide
[CAS# 60839-69-2]

Identification

• Name: 5-Oxoprolyl-4(5)-Iodohistidyl-Prolinamide
• Synonyms: (2S)-N-[(2S)-1-[(2S)-2-Amino-3-(5-Iodo-3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]-5-Oxo-Pyrrolidine-2-Carboxamide; (2S)-N-[[(2S)-1-[(2S)-2-Amino-3-(5-Iodo-3H-Imidazol-4-Yl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]-5-Oxo-2-Pyrrolidinecarboxamide; (2S)-N-[(2S)-1-[(2S)-2-Amino-3-(5-Iodo-3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₁₆H₂₁IN₆O₄
• Molecular Weight: 488.28
• CAS Registry Number: 60839-69-2
• SMILES: [C@@H]2(N(C([C@H](CC1=C(N=C[NH]1)I)N)=O)CCC2)C(NC([C@H]3NC(=O)CC3)=O)=O
• InChI: 1S/C16H21IN6O4/c17-13-10(19-7-20-13)6-8(18)16(27)23-5-1-2-11(23)15(26)22-14(25)9-3-4-12(24)21-9/h7-9,11H,1-6,18H2,(H,19,20)(H,21,24)(H,22,25,26)/t8-,9-,11-/m0/s1
• InChIKey: ZTETYXSXZAMVAT-QXEWZRGKSA-N

Properties

• Density: 1.763g/cm³ (Cal.)
• Boiling point: 877.39°C at 760 mmHg (Cal.)
• Flash point: 484.428°C (Cal.)