beta-Phenylbiliverdin ixa
[CAS# 80367-88-0]

Identification

• Name: beta-Phenylbiliverdin ixa
• Synonyms: 3-[(2E,5E)-5-[[4-(2-Carboxyethyl)-3-Methyl-5-[(E)-(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-2-Yl]Methylene]-4-Methyl-2-[(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Yl)-Phenyl-Methylene]Pyrrol-3-Yl]Propanoic Acid; 3-[(2E,5E)-5-[[4-(2-Carboxyethyl)-3-Methyl-5-[(E)-(3-Methyl-5-Oxo-4-Vinyl-2-Pyrrolylidene)Methyl]-1H-Pyrrol-2-Yl]Methylene]-4-Methyl-2-[(3-Methyl-5-Oxo-4-Vinyl-2-Pyrrolyl)-Phenylmethylene]-3-Pyrrolyl]Propanoic Acid; 3-[(2E,5E)-5-[[4-(2-Carboxyethyl)-5-[(E)-(5-Keto-3-Methyl-4-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-3-Methyl-1H-Pyrrol-2-Yl]Methylene]-2-[(5-Keto-3-Methyl-4-Vinyl-Pyrrol-2-Yl)-Phenyl-Methylene]-4-Methyl-3-Pyrrolin-3-Yl]Propionic Acid
• Molecular Formula: C₃₉H₃₈N₄O₆
• Molecular Weight: 658.75
• CAS Registry Number: 80367-88-0
• SMILES: C5=C(/C(=C/1NC(/C(=C1CCC(O)=O)C)=C/C2=C(C(=C([NH]2)\C=C/3NC(=O)C(=C3C)C=C)CCC(O)=O)C)C4=NC(=O)C(=C4C)C=C)C=CC=C5
• InChI: 1S/C39H38N4O6/c1-7-25-20(3)31(42-38(25)48)19-32-27(14-16-33(44)45)21(4)29(40-32)18-30-22(5)28(15-17-34(46)47)37(41-30)35(24-12-10-9-11-13-24)36-23(6)26(8-2)39(49)43-36/h7-13,18-19,40-41H,1-2,14-17H2,3-6H3,(H,42,48)(H,44,45)(H,46,47)/b30-18+,31-19+,37-35+
• InChIKey: YNFSPCSIAJAFPM-RCDWPDRLSA-N

Properties

• Density: 1.283g/cm³ (Cal.)