Methyl 2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[(4-Bromobenzoyl)Amino]-2-Methylpropanoyl]Amino]-2-Methylpropanoyl]Amino]-2-Methylpropanoyl]Amino]-2-Methylpropanoyl]Amino]-2-Methylpropanoyl]Amino]-4-Methylpentanoyl]Amino]-2-Methylpropanoyl]Amino]-2-Methylpropanoate
[CAS# 114640-52-7]

Identification

• Name: Methyl 2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[(4-Bromobenzoyl)Amino]-2-Methylpropanoyl]Amino]-2-Methylpropanoyl]Amino]-2-Methylpropanoyl]Amino]-2-Methylpropanoyl]Amino]-2-Methylpropanoyl]Amino]-4-Methylpentanoyl]Amino]-2-Methylpropanoyl]Amino]-2-Methylpropanoate
• Synonyms: Methyl 2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[(4-Bromobenzoyl)Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propanoate; 2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[(4-Bromophenyl)-Oxomethyl]Amino]-2-Methyl-1-Oxopropyl]Amino]-2-Methyl-1-Oxopropyl]Amino]-2-Methyl-1-Oxopropyl]Amino]-2-Methyl-1-Oxopropyl]Amino]-2-Methyl-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-2-Methyl-1-Oxopropyl]Amino]-2-Methylpropanoic Acid Methyl Ester; 2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[(4-Bromobenzoyl)Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-2-Methyl-Propanoyl]Amino]-2-Methyl-Propionic Acid Methyl Ester
• Molecular Formula: C₄₂H₆₇BrN₈O₁₀
• Molecular Weight: 923.94
• CAS Registry Number: 114640-52-7
• SMILES: [C@H](C(NC(C(NC(C(=O)OC)(C)C)=O)(C)C)=O)(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C1=CC=C(C=C1)Br)=O)(C)C)=O)(C)C)=O)(C)C)=O)(C)C)=O)(C)C)=O)CC(C)C
• InChI: 1S/C42H67BrN8O10/c1-23(2)22-26(28(53)46-38(7,8)31(56)51-42(15,16)35(60)61-17)44-29(54)36(3,4)47-32(57)39(9,10)49-34(59)41(13,14)50-33(58)40(11,12)48-30(55)37(5,6)45-27(52)24-18-20-25(43)21-19-24/h18-21,23,26H,22H2,1-17H3,(H,44,54)(H,45,52)(H,46,53)(H,47,57)(H,48,55)(H,49,59)(H,50,58)(H,51,56)/t26-/m0/s1
• InChIKey: CTXMDPDBGGRIKW-SANMLTNESA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 1134.997°C at 760 mmHg (Cal.)
• Flash point: 640.223°C (Cal.)