3-[2-[(Z)-[3-(2-Carboxyethyl)-5-[[(2R)-4-Ethenyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl]Methyl]-4-Methylpyrrol-2-Ylidene]Methyl]-5-[[(2R)-3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
[CAS# 3947-38-4]

Identification

• Name: 3-[2-[(Z)-[3-(2-Carboxyethyl)-5-[[(2R)-4-Ethenyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl]Methyl]-4-Methylpyrrol-2-Ylidene]Methyl]-5-[[(2R)-3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
• Synonyms: 3-[2-[(Z)-[3-(2-Carboxyethyl)-4-Methyl-5-[[(2R)-3-Methyl-5-Oxo-4-Vinyl-1,2-Dihydropyrrol-2-Yl]Methyl]Pyrrol-2-Ylidene]Methyl]-5-[[(2R)-3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[(Z)-[3-(2-Carboxyethyl)-4-Methyl-5-[[(2R)-3-Methyl-5-Oxo-4-Vinyl-1,2-Dihydropyrrol-2-Yl]Methyl]-2-Pyrrolylidene]Methyl]-5-[[(2R)-3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[(Z)-[3-(2-Carboxyethyl)-5-[[(2R)-5-Keto-3-Methyl-4-Vinyl-3-Pyrrolin-2-Yl]Methyl]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[[(2R)-3-Ethyl-5-Keto-4-Methyl-3-Pyrrolin-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₃₃H₄₀N₄O₆
• Molecular Weight: 588.70
• CAS Registry Number: 3947-38-4
• SMILES: [C@@H]1(NC(=O)C(=C1CC)C)CC2=C(C(=C([NH]2)/C=C/4N=C(C[C@H]3NC(=O)C(=C3C)C=C)C(=C4CCC(O)=O)C)CCC(O)=O)C
• InChI: 1S/C33H40N4O6/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/h8,15,26-27,35H,2,7,9-14H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27-/m1/s1
• InChIKey: DOKCNDVEPDZOJQ-PXQXBSAQSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 901.943°C at 760 mmHg (Cal.)
• Flash point: 499.277°C (Cal.)