3-[2-[[3-(2-Carboxyethyl)-5-[(4-Ethenyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[(3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
[CAS# 17208-65-0]

Identification

• Name: 3-[2-[[3-(2-Carboxyethyl)-5-[(4-Ethenyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[(3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
• Synonyms: 3-[2-[[3-(2-Carboxyethyl)-4-Methyl-5-[[(2R)-3-Methyl-5-Oxo-4-Vinyl-1,2-Dihydropyrrol-2-Yl]Methyl]-1H-Pyrrol-2-Yl]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-[[3-(2-Carboxyethyl)-5-[[(2R)-5-Keto-3-Methyl-4-Vinyl-3-Pyrrolin-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[[(2R)-3-Ethyl-5-Keto-4-Methyl-3-Pyrrolin-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propionic Acid; 21H-Biline-8,12-Dipropanoic Acid, 2-Ethenyl-17-Ethyl-1,4,5,10,15,16,19,22,23,24-Decahydro-3,7,13,18-Tetramethyl-1,19-Dioxo-, (4R,16R)-
• Molecular Formula: C₃₃H₄₂N₄O₆
• Molecular Weight: 590.72
• CAS Registry Number: 17208-65-0
• SMILES: [C@@H]1(NC(=O)C(=C1CC)C)CC2=C(C(=C([NH]2)CC3=C(C(=C([NH]3)C[C@H]4NC(=O)C(=C4C)C=C)C)CCC(O)=O)CCC(O)=O)C
• InChI: 1S/C33H42N4O6/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/h8,26-27,34-35H,2,7,9-15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t26-,27-/m1/s1
• InChIKey: KSQFFJKKJAEKTB-KAYWLYCHSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 881.253°C at 760 mmHg (Cal.)
• Flash point: 486.764°C (Cal.)