3-[(2E)-2-({3-(2-Carboxyethyl)-4-Methyl-5-[(E)-(3-Methyl-5-Oxo-4-Vinyl-1,5-Dihydro-2H-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-2-Yl}Methylene)-4-Methyl-5-Oxo-2,5-Dihydro-1H-Pyrrol-3-Yl]Propanoic Acid
[CAS# 158598-18-6]

Identification

• Name: 3-[(2E)-2-({3-(2-Carboxyethyl)-4-Methyl-5-[(E)-(3-Methyl-5-Oxo-4-Vinyl-1,5-Dihydro-2H-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-2-Yl}Methylene)-4-Methyl-5-Oxo-2,5-Dihydro-1H-Pyrrol-3-Yl]Propanoic Acid
• Molecular Formula: C₂₅H₂₇N₃O₆
• Molecular Weight: 465.50
• CAS Registry Number: 158598-18-6
• SMILES: O=C3/C(=C(\C(=C/c2c(c(c(\C=C1/C(=C(/C=C)C(=O)N1)C)n2)C)CCC(=O)O)N3)CCC(=O)O)C
• InChI: 1S/C25H27N3O6/c1-5-15-12(2)19(27-25(15)34)10-18-13(3)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)24(33)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,34)(H,28,33)(H,29,30)(H,31,32)/b19-10+,21-11+
• InChIKey: PMIYFUGIVLGYIZ-WOEXBRBNSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 879.713°C at 760 mmHg (Cal.)
• Flash point: 485.833°C (Cal.)
• Refractive index: 1.695 (Cal.)