Glycyl-L-Isoleucylglycyl-L-Lysyl-L-Phenylalanyl-L-Leucyl-L-Lysyl-L-Lysyl-L-Alanyl-L-Lysyl-L-Lysyl-L-Phenylalanylglycyl-L-Lysyl-L-Alanyl-L-Phenylalanyl-L-Valyl-L-Lysyl-L-Isoleucyl-L-Leucyl-L-Lysyl-L-Lysinamide
[CAS# 147664-63-9]

Identification

• Name: Glycyl-L-Isoleucylglycyl-L-Lysyl-L-Phenylalanyl-L-Leucyl-L-Lysyl-L-Lysyl-L-Alanyl-L-Lysyl-L-Lysyl-L-Phenylalanylglycyl-L-Lysyl-L-Alanyl-L-Phenylalanyl-L-Valyl-L-Lysyl-L-Isoleucyl-L-Leucyl-L-Lysyl-L-Lysinamide
• Synonyms: Magainin I, 7-L-Lysine-8-L-Lysine-10-L-Lysine-18-L-Lysine-19-De-L-Glutamic Acid-21-L-Leucine-23-L-Lysinamide; Pexiganan [Inn]
• Molecular Formula: C₁₂₂H₂₁₀N₃₂O₂₂
• Molecular Weight: 2477.20
• CAS Registry Number: 147664-63-9
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CN)[C@H](CC)C)CCCCN)CC1=CC=CC=C1)CC(C)C)CCCCN)CCCCN)C)CCCCN)CCCCN)CC2=CC=CC=C2)CCCCN)C)CC3=CC=CC=C3)C(C)C)CCCCN)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)CC(C)C)[C@H](CC)C
• InChI: 1S/C122H210N32O22/c1-13-77(9)102(152-98(155)71-132)120(174)135-73-100(157)139-86(50-26-35-59-125)110(164)150-96(69-82-44-20-16-21-45-82)118(172)148-93(66-74(3)4)116(170)145-90(54-30-39-63-129)113(167)142-87(51-27-36-60-126)109(163)137-79(11)105(159)141-88(52-28-37-61-127)112(166)143-91(55-31-40-64-130)114(168)149-95(68-81-42-18-15-19-43-81)107(161)134-72-99(156)138-85(49-25-34-58-124)108(162)136-80(12)106(160)147-97(70-83-46-22-17-23-47-83)119(173)153-101(76(7)8)121(175)146-92(56-32-41-65-131)115(169)154-103(78(10)14-2)122(176)151-94(67-75(5)6)117(171)144-89(53-29-38-62-128)111(165)140-84(104(133)158)48-24-33-57-123/h15-23,42-47,74-80,84-97,101-103H,13-14,24-41,48-73,123-132H2,1-12H3,(H2,133,158)(H,134,161)(H,135,174)(H,136,162)(H,137,163)(H,138,156)(H,139,157)(H,140,165)(H,141,159)(H,142,167)(H,143,166)(H,144,171)(H,145,170)(H,146,175)(H,147,160)(H,148,172)(H,149,168)(H,150,164)(H,151,176)(H,152,155)(H,153,173)(H,154,169)/t77-,78-,79-,80-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1
• InChIKey: KGZGFSNZWHMDGZ-KAYYGGFYSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 2261.834°C at 760 mmHg (Cal.)
• Flash point: 1321.709°C (Cal.)

References

• (1): Sarah A. Fowler and Helen E. Blackwell. Structure–function relationships in peptoids: Recent advances toward deciphering the structural requirements for biological function, Org. Biomol. Chem., 2009, 7, 1508.