3-[5-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Carbamoyl]Pentanoylamino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid
[CAS# 51134-92-0]

Identification

• Name: 3-[5-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Carbamoyl]Pentanoylamino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid
• Synonyms: 3-[[6-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Amino]-6-Oxo-Hexanoyl]Amino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid; 3-[[6-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxo-1-Pyrrolidinyl)Methyl]Phenyl]Amino]-1,6-Dioxohexyl]Amino]-2,4,6-Triiodo-5-[(2-Oxo-1-Pyrrolidinyl)Methyl]Benzoic Acid; 3-[[6-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Ketopyrrolidin-1-Yl)Methyl]Phenyl]Amino]-6-Keto-Hexanoyl]Amino]-2,4,6-Triiodo-5-[(2-Ketopyrrolidin-1-Yl)Methyl]Benzoic Acid
• Molecular Formula: C₃₀H₂₈I₆N₄O₈
• Molecular Weight: 1334.00
• CAS Registry Number: 51134-92-0
• SMILES: C(N1C(=O)CCC1)C2=C(I)C(=C(I)C(=C2I)C(=O)O)NC(=O)CCCCC(=O)NC3=C(I)C(=C(I)C(=C3I)CN4C(=O)CCC4)C(=O)O
• InChI: 1S/C30H28I6N4O8/c31-21-13(11-39-9-3-7-17(39)43)23(33)27(25(35)19(21)29(45)46)37-15(41)5-1-2-6-16(42)38-28-24(34)14(12-40-10-4-8-18(40)44)22(32)20(26(28)36)30(47)48/h1-12H2,(H,37,41)(H,38,42)(H,45,46)(H,47,48)
• InChIKey: DXYQAEKHSLXMEF-UHFFFAOYSA-N

Properties

• Density: 2.483g/cm³ (Cal.)
• Boiling point: 1092.917°C at 760 mmHg (Cal.)
• Flash point: 614.774°C (Cal.)