3-[2-[[3-(2-Carboxyethyl)-5-[(3-Ethyl-4-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[(4-Ethyl-3-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
[CAS# 17095-63-5]

Identification

• Name: 3-[2-[[3-(2-Carboxyethyl)-5-[(3-Ethyl-4-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[(4-Ethyl-3-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
• Synonyms: 3-[2-[[3-(2-Carboxyethyl)-5-[[(2S,3R,4R)-4-Ethyl-3-Methyl-5-Oxo-Pyrrolidin-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[[(2S,3R,4R)-3-Ethyl-4-Methyl-5-Oxo-Pyrrolidin-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[[3-(2-Carboxyethyl)-5-[[(2S,3R,4R)-4-Ethyl-3-Methyl-5-Oxo-2-Pyrrolidinyl]Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[[(2S,3R,4R)-3-Ethyl-4-Methyl-5-Oxo-2-Pyrrolidinyl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[[3-(2-Carboxyethyl)-5-[[(2S,3R,4R)-4-Ethyl-5-Keto-3-Methyl-Pyrrolidin-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[[(2S,3R,4R)-3-Ethyl-5-Keto-4-Methyl-Pyrrolidin-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₃₃H₄₈N₄O₆
• Molecular Weight: 596.77
• CAS Registry Number: 17095-63-5
• SMILES: [C@@H]1([C@@H](NC(=O)[C@@H]1C)CC2=C(C(=C([NH]2)CC3=C(C(=C([NH]3)C[C@@H]4NC(=O)[C@@H]([C@H]4C)CC)C)CCC(O)=O)CCC(O)=O)C)CC
• InChI: 1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t16-,19-,20-,21-,26+,27+/m1/s1
• InChIKey: VKGRRZVYCXLHII-OLFWPHQKSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 843.758°C at 760 mmHg (Cal.)
• Flash point: 464.088°C (Cal.)