2-[[1-(Bis(Carboxymethyl)Amino)-3-[4-[5-(2,5-Dioxopyrrol-1-Yl)Pentylamino]Phenyl]Propan-2-Yl]-(Carboxymethyl)Amino]Acetic Acid
[CAS# 155015-71-7]

Identification

• Name: 2-[[1-(Bis(Carboxymethyl)Amino)-3-[4-[5-(2,5-Dioxopyrrol-1-Yl)Pentylamino]Phenyl]Propan-2-Yl]-(Carboxymethyl)Amino]Acetic Acid
• Synonyms: 2-[[1-[(Bis(Carboxymethyl)Amino)Methyl]-2-[4-[5-(2,5-Dioxopyrrol-1-Yl)Pentylamino]Phenyl]Ethyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[1-[(Bis(Carboxymethyl)Amino)Methyl]-2-[4-[5-(2,5-Dioxo-1-Pyrrolyl)Pentylamino]Phenyl]Ethyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[1-[(Bis(Carboxymethyl)Amino)Methyl]-2-[4-(5-Maleimidopentylamino)Phenyl]Ethyl]-(Carboxymethyl)Amino]Acetic Acid
• Molecular Formula: C₂₆H₃₄N₄O₁₀
• Molecular Weight: 562.58
• CAS Registry Number: 155015-71-7
• SMILES: C1=CC(=CC=C1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NCCCCCN2C(=O)C=CC2=O
• InChI: 1S/C26H34N4O10/c31-21-8-9-22(32)30(21)11-3-1-2-10-27-19-6-4-18(5-7-19)12-20(29(16-25(37)38)17-26(39)40)13-28(14-23(33)34)15-24(35)36/h4-9,20,27H,1-3,10-17H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)
• InChIKey: AWYSNGNHQFFZEX-UHFFFAOYSA-N

Properties

• Density: 1.436g/cm³ (Cal.)
• Boiling point: 882.93°C at 760 mmHg (Cal.)
• Flash point: 487.779°C (Cal.)