N-[3,11,13,16,24,26-Hexamethyl-27-Methylsulfanyl-2,5,9,12,15,18,22,25-Octaoxo-4,17-Di(Propan-2-Yl)-8-(Quinoline-2-Carbonylamino)-6,19-Dioxa-28-Thia-3,10,13,16,23,26-Hexazabicyclo[12.12.3]Nonacosan-21-Yl]Quinoxaline-2-Carboxamide
[CAS# 77195-99-4]

Identification

• Name: N-[3,11,13,16,24,26-Hexamethyl-27-Methylsulfanyl-2,5,9,12,15,18,22,25-Octaoxo-4,17-Di(Propan-2-Yl)-8-(Quinoline-2-Carbonylamino)-6,19-Dioxa-28-Thia-3,10,13,16,23,26-Hexazabicyclo[12.12.3]Nonacosan-21-Yl]Quinoxaline-2-Carboxamide
• Synonyms: N-[4,17-Diisopropyl-3,11,13,16,24,26-Hexamethyl-27-Methylsulfanyl-2,5,9,12,15,18,22,25-Octaoxo-8-(Quinoline-2-Carbonylamino)-6,19-Dioxa-28-Thia-3,10,13,16,23,26-Hexazabicyclo[12.12.3]Nonacosan-21-Yl]Quinoxaline-2-Carboxamide; N-[4,17-Diisopropyl-3,11,13,16,24,26-Hexamethyl-27-(Methylthio)-2,5,9,12,15,18,22,25-Octaoxo-8-[[Oxo-(2-Quinolyl)Methyl]Amino]-6,19-Dioxa-28-Thia-3,10,13,16,23,26-Hexazabicyclo[12.12.3]Nonacosan-21-Yl]-2-Quinoxalinecarboxamide; N-[4,17-Diisopropyl-2,5,9,12,15,18,22,25-Octaketo-3,11,13,16,24,26-Hexamethyl-27-(Methylthio)-8-(Quinoline-2-Carbonylamino)-6,19-Dioxa-28-Thia-3,10,13,16,23,26-Hexazabicyclo[12.12.3]Nonacosan-21-Yl]Quinoxaline-2-Carboxamide
• Molecular Formula: C₅₂H₆₅N₁₁O₁₂S₂
• Molecular Weight: 1100.27
• CAS Registry Number: 77195-99-4
• SMILES: C2=NC1=CC=CC=C1N=C2C(=O)NC5C(=O)NC(C(=O)N(C6C(=O)N(C(C(OCC(NC(=O)C4=NC3=CC=CC=C3C=C4)C(=O)NC(C(=O)N(C(C(=O)N(C(C(OC5)=O)C(C)C)C)CSC6SC)C)C)=O)C(C)C)C)C)C
• InChI: 1S/C52H65N11O12S2/c1-26(2)39-50(72)74-24-37(59-43(65)35-22-53-32-18-14-15-19-33(32)57-35)45(67)55-29(6)47(69)63(10)41-49(71)62(9)40(27(3)4)51(73)75-23-36(58-42(64)34-21-20-30-16-12-13-17-31(30)56-34)44(66)54-28(5)46(68)60(7)38(48(70)61(39)8)25-77-52(41)76-11/h12-22,26-29,36-41,52H,23-25H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)
• InChIKey: ITWKZNYKGRGXPU-UHFFFAOYSA-N