3,18-Diethyl-1,4,5,15,16,19,22,24-Octahydro-2,7,13,17-Tetramethyl-1,19-Dioxo-21H-Biline-8,12-Dipropionic Acid
[CAS# 1856-98-0]

Identification

• Name: 3,18-Diethyl-1,4,5,15,16,19,22,24-Octahydro-2,7,13,17-Tetramethyl-1,19-Dioxo-21H-Biline-8,12-Dipropionic Acid
• Synonyms: 3-[2-[(Z)-[3-(2-Carboxyethyl)-5-[[(2S)-4-Ethyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl]Methyl]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[[(2S)-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-[[(2S)-4-Ethyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl]Methyl]-4-Methyl-2-Pyrrolylidene]Methyl]-5-[[(2S)-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-[[(2S)-4-Ethyl-5-Keto-3-Methyl-3-Pyrrolin-2-Yl]Methyl]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[[(2S)-3-Ethyl-5-Keto-4-Methyl-3-Pyrrolin-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₃₃H₄₂N₄O₆
• Molecular Weight: 590.72
• CAS Registry Number: 1856-98-0
• EINECS: 217-456-3
• SMILES: [C@H]4(CC3=C(C(=C(\C=C1\C(=C(C(=N1)C[C@H]2C(=C(C(N2)=O)CC)C)C)CCC(O)=O)[NH]3)CCC(O)=O)C)C(=C(C(N4)=O)C)CC
• 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/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27-/m0/s1
• InChIKey: KDCCOOGTVSRCHX-UYMYUHGCSA-N

Properties

• Density: 1.324g/cm³ (Cal.)
• Boiling point: 890.496°C at 760 mmHg (Cal.)
• Flash point: 492.354°C (Cal.)