(E)-6-Methyl-N-[7-Methyl-3-(2-Methylpropyl)-2,5,6,9-Tetraoxo-1,4,8-Triazacyclotridec-10-Yl]Oct-2-Enamide
[CAS# 137563-64-5]

Identification

• Name: (E)-6-Methyl-N-[7-Methyl-3-(2-Methylpropyl)-2,5,6,9-Tetraoxo-1,4,8-Triazacyclotridec-10-Yl]Oct-2-Enamide
• Synonyms: (E)-N-(3-Isobutyl-7-Methyl-2,5,6,9-Tetraoxo-1,4,8-Triazacyclotridec-10-Yl)-6-Methyl-Oct-2-Enamide; (E)-N-(3-Isobutyl-7-Methyl-2,5,6,9-Tetraoxo-1,4,8-Triazacyclotridec-10-Yl)-6-Methyloct-2-Enamide; (E)-N-(3-Isobutyl-2,5,6,9-Tetraketo-7-Methyl-1,4,8-Triazacyclotridec-10-Yl)-6-Methyl-Oct-2-Enamide
• Molecular Formula: C₂₄H₄₀N₄O₅
• Molecular Weight: 464.60
• CAS Registry Number: 137563-64-5
• SMILES: C(C1NC(C(C(NC(C(NC(/C=C/CCC(CC)C)=O)CCCNC1=O)=O)C)=O)=O)C(C)C
• InChI: 1S/C24H40N4O5/c1-6-16(4)10-7-8-12-20(29)27-18-11-9-13-25-22(31)19(14-15(2)3)28-24(33)21(30)17(5)26-23(18)32/h8,12,15-19H,6-7,9-11,13-14H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,33)/b12-8+
• InChIKey: YNIGBMUXBCZRNQ-XYOKQWHBSA-N

Properties

• Density: 1.122g/cm³ (Cal.)