Pterobilin
[CAS# 20890-42-0]

Identification

• Name: Pterobilin
• Synonyms: 3-[5-[(E)-[(5E)-5-[[5-[(Z)-[3-(2-Carboxyethyl)-4-Methyl-5-Oxo-Pyrrol-2-Ylidene]Methyl]-4-Methyl-3-Vinyl-1H-Pyrrol-2-Yl]Methylene]-4-Methyl-3-Vinyl-Pyrrol-2-Ylidene]Methyl]-4-Methyl-2-Oxo-Pyrrol-3-Yl]Propanoic Acid; 3-[5-[(E)-[(5E)-5-[[5-[(Z)-[3-(2-Carboxyethyl)-4-Methyl-5-Oxo-2-Pyrrolylidene]Methyl]-4-Methyl-3-Vinyl-1H-Pyrrol-2-Yl]Methylene]-4-Methyl-3-Vinyl-2-Pyrrolylidene]Methyl]-4-Methyl-2-Oxo-3-Pyrrolyl]Propanoic Acid; 3-[5-[(E)-[(5E)-5-[[5-[(Z)-[3-(2-Carboxyethyl)-5-Keto-4-Methyl-3-Pyrrolin-2-Ylidene]Methyl]-4-Methyl-3-Vinyl-1H-Pyrrol-2-Yl]Methylene]-4-Methyl-3-Vinyl-3-Pyrrolin-2-Ylidene]Methyl]-2-Keto-4-Methyl-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₃₃H₃₄N₄O₆
• Molecular Weight: 582.65
• CAS Registry Number: 20890-42-0
• SMILES: C(C\1=C(C(=O)NC1=C\C2=C(C(=C([NH]2)\C=C/3NC(/C(=C3C)C=C)=C/C4=NC(=O)C(=C4C)CCC(O)=O)C=C)C)C)CC(O)=O
• InChI: 1S/C33H34N4O6/c1-7-20-17(4)25(14-29-22(9-11-30(38)39)19(6)32(42)37-29)35-27(20)13-24-16(3)21(8-2)28(34-24)15-26-18(5)23(33(43)36-26)10-12-31(40)41/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,28-15+,29-14-
• InChIKey: SVSBSYWWDXUJJT-VGZAAFBHSA-N