3-[2-[[2-[[2-[[2-[2-[2-(2,5-Dioxopyrrol-1-Yl)Ethoxy]Ethylamino]Acetyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Sulfanylcarbonylbenzoic Acid
[CAS# 131274-05-0]

Identification

• Name: 3-[2-[[2-[[2-[[2-[2-[2-(2,5-Dioxopyrrol-1-Yl)Ethoxy]Ethylamino]Acetyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Sulfanylcarbonylbenzoic Acid
• Synonyms: 3-[2-[[2-[[2-[[2-[2-[2-(2,5-Dioxopyrrol-1-Yl)Ethoxy]Ethylamino]Acetyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Sulfanylcarbonylbenzoic Acid; 3-[[[2-[[2-[[2-[[2-[2-[2-(2,5-Dioxo-1-Pyrrolyl)Ethoxy]Ethylamino]-1-Oxoethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Thio]-Oxomethyl]Benzoic Acid; 3-[[2-Keto-2-[[2-Keto-2-[[2-Keto-2-[[2-[2-(2-Maleimidoethoxy)Ethylamino]Acetyl]Amino]Ethyl]Amino]Ethyl]Amino]Ethyl]Thio]Carbonylbenzoic Acid
• Molecular Formula: C₂₄H₂₇N₅O₁₀S
• Molecular Weight: 577.56
• CAS Registry Number: 131274-05-0
• SMILES: C1=C(C=CC=C1C(SCC(NCC(NCC(NC(CNCCOCCN2C(C=CC2=O)=O)=O)=O)=O)=O)=O)C(=O)O
• InChI: 1S/C24H27N5O10S/c30-17(12-27-20(33)14-40-24(38)16-3-1-2-15(10-16)23(36)37)26-13-19(32)28-18(31)11-25-6-8-39-9-7-29-21(34)4-5-22(29)35/h1-5,10,25H,6-9,11-14H2,(H,26,30)(H,27,33)(H,36,37)(H,28,31,32)
• InChIKey: VQGZMHUDKWVJND-UHFFFAOYSA-N

Properties

• Density: 1.439g/cm³ (Cal.)
• Boiling point: 936.615°C at 760 mmHg (Cal.)
• Flash point: 520.246°C (Cal.)