2-[3-[4-methyl-2-[[4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid
[CAS# 89771-93-7]

Identification

• Name: 2-[3-[4-methyl-2-[[4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid
• Molecular Formula: C₃₇H₄₆N₆O₁₀S₂
• Molecular Weight: 798.92
• CAS Registry Number: 89771-93-7
• SMILES: O=C4/C(=C(/C=C)\C(=C\c1c(c(c(n1)Cc3c(c(c(/C=C2/C(\C=C)=C(/C(=O)N2)C)n3)C)CCC(=O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O)C)N4)C
• InChI: 1S/C37H46N6O10S2/c1-7-24-22(5)36(46)42-30(24)17-28-20(3)26(9-11-34(44)38-13-15-54(48,49)50)32(40-28)19-33-27(10-12-35(45)39-14-16-55(51,52)53)21(4)29(41-33)18-31-25(8-2)23(6)37(47)43-31/h7-8,17-18,40-41H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,46)(H,43,47)(H,48,49,50)(H,51,52,53)/b30-17-,31-18-
• InChIKey: BXTIMASCUMQAFQ-VYTBREFCSA-N

Properties

• Density: 1.45g/cm³ (Cal.)