N-[3,11,13,16,24,26-Hexamethyl-4,17-Bis(3-Methylbutan-2-Yl)-2,5,9,12,15,18,22,25-Octaoxo-8-(Quinoxaline-2-Carbonylamino)-6,19-Dioxa-28,29-Dithia-3,10,13,16,23,26-Hexazabicyclo[12.12.4]Triacontan-21-Yl]Quinoxaline-2-Carboxamide
[CAS# 10382-35-1]

Identification

• Name: N-[3,11,13,16,24,26-Hexamethyl-4,17-Bis(3-Methylbutan-2-Yl)-2,5,9,12,15,18,22,25-Octaoxo-8-(Quinoxaline-2-Carbonylamino)-6,19-Dioxa-28,29-Dithia-3,10,13,16,23,26-Hexazabicyclo[12.12.4]Triacontan-21-Yl]Quinoxaline-2-Carboxamide
• Synonyms: N-[4,17-Bis(1,2-Dimethylpropyl)-3,11,13,16,24,26-Hexamethyl-2,5,9,12,15,18,22,25-Octaoxo-8-(Quinoxaline-2-Carbonylamino)-6,19-Dioxa-28,29-Dithia-3,10,13,16,23,26-Hexazabicyclo[12.12.4]Triacontan-21-Yl]Quinoxaline-2-Carboxamide; N-[4,17-Bis(1,2-Dimethylpropyl)-3,11,13,16,24,26-Hexamethyl-2,5,9,12,15,18,22,25-Octaoxo-8-[[Oxo-(2-Quinoxalinyl)Methyl]Amino]-6,19-Dioxa-28,29-Dithia-3,10,13,16,23,26-Hexazabicyclo[12.12.4]Triacontan-21-Yl]-2-Quinoxalinecarboxamide; N-[4,17-Bis(1,2-Dimethylpropyl)-2,5,9,12,15,18,22,25-Octaketo-3,11,13,16,24,26-Hexamethyl-8-(Quinoxaline-2-Carbonylamino)-6,19-Dioxa-28,29-Dithia-3,10,13,16,23,26-Hexazabicyclo[12.12.4]Triacontan-21-Yl]Quinoxaline-2-Carboxamide
• Molecular Formula: C₅₄H₇₀N₁₂O₁₂S₂
• Molecular Weight: 1143.34
• CAS Registry Number: 10382-35-1
• SMILES: C1=C(N=C2C(=N1)C=CC=C2)C(=O)NC5C(=O)NC(C(=O)N(C6C(=O)N(C(C(OCC(NC(=O)C3=NC4=C(N=C3)C=CC=C4)C(=O)NC(C(=O)N(C(C(=O)N(C(C(OC5)=O)C(C(C)C)C)C)CSSC6)C)C)=O)C(C(C)C)C)C)C)C
• InChI: 1S/C54H70N12O12S2/c1-27(2)29(5)43-53(75)77-23-39(61-45(67)37-21-55-33-17-13-15-19-35(33)59-37)47(69)57-32(8)50(72)64(10)42-26-80-79-25-41(51(73)65(43)11)63(9)49(71)31(7)58-48(70)40(24-78-54(76)44(30(6)28(3)4)66(12)52(42)74)62-46(68)38-22-56-34-18-14-16-20-36(34)60-38/h13-22,27-32,39-44H,23-26H2,1-12H3,(H,57,69)(H,58,70)(H,61,67)(H,62,68)
• InChIKey: AAKHBCYMJPWUTO-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 1408.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 805.5±34.3°C (Cal.)