(Ala8,13,18)-Magainin II Amide
[CAS# 117665-48-2]

Identification

• Name: (Ala8,13,18)-Magainin II Amide
• Synonyms: L-Serinamide, Glycyl-L-Isoleucylglycyl-L-Lysyl-L-Phenylalanyl-L-Leucyl-L-Histidyl-L-Alanyl-L-Alanyl-L-Lysyl-L-Lysyl-L-Phenylalanyl-L-Alanyl-L-Lysyl-L-Alanyl-L-Phenylalanyl-L-Valyl-L-Alanyl-L-Alpha-Glutamyl-L-Isoleucyl-L-Methionyl-L-Asparaginyl-; Magainin B
• Molecular Formula: C₁₁₆H₁₈₅N₃₁O₂₇S
• Molecular Weight: 2477.99
• CAS Registry Number: 117665-48-2
• SMILES: [C@H](C(=O)N)(NC([C@H](CC(=O)N)NC(=O)[C@@H](NC([C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@H](CC3=CN=C[NH]3)NC([C@H](CC(C)C)NC([C@H](CC4=CC=CC=C4)NC(=O)[C@@H](NC(=O)CNC([C@@H](NC(=O)CN)C(CC)C)=O)CCCCN)=O)=O)=O)C)C)CCCCN)CCCCN)=O)C)CCCCN)C)=O)C(C)C)=O)C)C(CC)C)=O)CCSC)=O)CO
• InChI: 1S/C116H185N31O27S/c1-15-65(7)94(145-90(150)58-121)114(172)125-60-91(151)132-76(40-26-30-47-117)103(161)141-84(54-73-36-22-18-23-37-73)111(169)139-82(52-63(3)4)110(168)142-86(56-75-59-124-62-126-75)109(167)129-67(9)97(155)127-68(10)98(156)134-78(42-28-32-49-119)104(162)136-79(43-29-33-50-120)105(163)140-83(53-72-34-20-17-21-35-72)108(166)130-69(11)99(157)133-77(41-27-31-48-118)102(160)128-70(12)101(159)138-85(55-74-38-24-19-25-39-74)113(171)146-93(64(5)6)115(173)131-71(13)100(158)135-80(44-45-92(152)153)107(165)147-95(66(8)16-2)116(174)137-81(46-51-175-14)106(164)143-87(57-89(122)149)112(170)144-88(61-148)96(123)154/h17-25,34-39,59,62-71,76-88,93-95,148H,15-16,26-33,40-58,60-61,117-121H2,1-14H3,(H2,122,149)(H2,123,154)(H,124,126)(H,125,172)(H,127,155)(H,128,160)(H,129,167)(H,130,166)(H,131,173)(H,132,151)(H,133,157)(H,134,156)(H,135,158)(H,136,162)(H,137,174)(H,138,159)(H,139,169)(H,140,163)(H,141,161)(H,142,168)(H,143,164)(H,144,170)(H,145,150)(H,146,171)(H,147,165)(H,152,153)/t65?,66?,67-,68-,69-,70-,71-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,93-,94-,95-/m0/s1
• InChIKey: KKNMJWFWBZQVFT-FIHNEYJFSA-N