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]Quinoline-2-Carboxamide
[CAS# 77196-00-0]

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]Quinoline-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]Quinoline-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-Quinolinecarboxamide; 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]Quinaldamide
• Molecular Formula: C₅₃H₆₆N₁₀O₁₂S₂
• Molecular Weight: 1099.28
• CAS Registry Number: 77196-00-0
• SMILES: C2=CC1=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/C53H66N10O12S2/c1-27(2)40-51(72)74-24-38(59-44(65)36-23-21-32-17-13-15-19-34(32)57-36)46(67)55-30(6)48(69)63(10)42-50(71)62(9)41(28(3)4)52(73)75-25-37(58-43(64)35-22-20-31-16-12-14-18-33(31)56-35)45(66)54-29(5)47(68)60(7)39(49(70)61(40)8)26-77-53(42)76-11/h12-23,27-30,37-42,53H,24-26H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)
• InChIKey: FGMKIQADVFUCIT-UHFFFAOYSA-N