2-[3-[5-[(E)-(3-Ethenyl-4-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-2-[[5-[(E)-(4-Ethenyl-3-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-4-Methyl-3-[3-Oxo-3-(2-Sulfoethylamino)Propyl]-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-2H-Pyrrol-3-Yl]Propanoylamino]Ethanesulfonic Acid
[CAS# 39084-19-0]

Identification

• Name: 2-[3-[5-[(E)-(3-Ethenyl-4-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-2-[[5-[(E)-(4-Ethenyl-3-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-4-Methyl-3-[3-Oxo-3-(2-Sulfoethylamino)Propyl]-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-2H-Pyrrol-3-Yl]Propanoylamino]Ethanesulfonic Acid
• Synonyms: 2-[3-[4-Methyl-2-[[4-Methyl-5-[(E)-(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Ylidene)Methyl]-3-[3-Oxo-3-(2-Sulfoethylamino)Propyl]-1H-Pyrrol-2-Yl]Methyl]-5-[(E)-(4-Methyl-5-Oxo-3-Vinyl-Pyrrol-2-Ylidene)Methyl]-2H-Pyrrol-3-Yl]Propanoylamino]Ethanesulfonic Acid; 2-[[3-[4-Methyl-2-[[4-Methyl-5-[(E)-(3-Methyl-5-Oxo-4-Vinyl-2-Pyrrolylidene)Methyl]-3-[3-Oxo-3-(2-Sulfoethylamino)Propyl]-1H-Pyrrol-2-Yl]Methyl]-5-[(E)-(4-Methyl-5-Oxo-3-Vinyl-2-Pyrrolylidene)Methyl]-2H-Pyrrol-3-Yl]-1-Oxopropyl]Amino]Ethanesulfonic Acid; 2-[3-[5-[(E)-(5-Keto-4-Methyl-3-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-2-[[5-[(E)-(5-Keto-3-Methyl-4-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-3-[3-Keto-3-(2-Sulfoethylamino)Propyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-2H-Pyrrol-3-Yl]Propanoylamino]Ethanesulfonic Acid
• Molecular Formula: C₃₇H₄₆N₆O₁₀S₂
• Molecular Weight: 798.92
• CAS Registry Number: 39084-19-0
• SMILES: C(C1N=C(C(=C1CCC(=O)NCC[S](O)(=O)=O)C)\C=C/2NC(=O)C(=C2C=C)C)C3=C(C(=C([NH]3)\C=C/4NC(=O)C(=C4C)C=C)C)CCC(=O)NCC[S](O)(=O)=O
• InChI: 1S/C37H46N6O10S2/c1-7-24-23(6)36(46)43-31(24)18-29-22(5)27(10-12-35(45)39-14-16-55(51,52)53)33(41-29)19-32-26(9-11-34(44)38-13-15-54(48,49)50)21(4)28(40-32)17-30-20(3)25(8-2)37(47)42-30/h7-8,17-18,33,40H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,47)(H,43,46)(H,48,49,50)(H,51,52,53)/b30-17+,31-18+
• InChIKey: UTKVRKBXINFLIH-HRTPUDOWSA-N

Properties

• Density: 1.428g/cm³ (Cal.)