N-[3,4,7-Trimethyl-6-(1-Methylethyl)-2,5,8-Trioxo-1,4,7-Triazacyclododecan-9-Yl]-2,4,6-Octatrienamide
[CAS# 22029-09-0]

Identification

• Name: N-[3,4,7-Trimethyl-6-(1-Methylethyl)-2,5,8-Trioxo-1,4,7-Triazacyclododecan-9-Yl]-2,4,6-Octatrienamide
• Synonyms: (4S,6S)-6-Methyl-6-[Methyl-[(2S)-3-Methyl-2-Methylamino-Butanoyl]Amino]-4-[[(2E,4E,6E)-Octa-2,4,6-Trienylidene]Amino]-5,7-Dioxo-Heptanamide; (4S,6S)-6-Methyl-6-[Methyl-[(2S)-3-Methyl-2-Methylamino-1-Oxobutyl]Amino]-4-[[(2E,4E,6E)-Octa-2,4,6-Trienylidene]Amino]-5,7-Dioxoheptanamide; (4S,6S)-5,7-Diketo-6-Methyl-6-[Methyl-[(2S)-3-Methyl-2-Methylamino-Butanoyl]Amino]-4-[[(2E,4E,6E)-Octa-2,4,6-Trienylidene]Amino]Enanthamide
• Molecular Formula: C₂₃H₃₆N₄O₄
• Molecular Weight: 432.56
• CAS Registry Number: 22029-09-0
• SMILES: [C@](N(C(=O)[C@@H](NC)C(C)C)C)(C(=O)[C@@H](N=C\C=C\C=C\C=C\C)CCC(=O)N)(C=O)C
• InChI: 1S/C23H36N4O4/c1-7-8-9-10-11-12-15-26-18(13-14-19(24)29)21(30)23(4,16-28)27(6)22(31)20(25-5)17(2)3/h7-12,15-18,20,25H,13-14H2,1-6H3,(H2,24,29)/b8-7+,10-9+,12-11+,26-15?/t18-,20-,23-/m0/s1
• InChIKey: IOGJLABBWLQEBL-XJNZMMSPSA-N

Properties

• Density: 1.058g/cm³ (Cal.)
• Boiling point: 620.326°C at 760 mmHg (Cal.)
• Flash point: 328.961°C (Cal.)