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Substance Name: Magainin B
RN: 117665-48-2
InChIKey: KKNMJWFWBZQVFT-FIHNEYJFSA-N

Molecular Formula

  • C116-H185-N31-O27-S

Molecular Weight

  • 2477.99
 
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Names and Synonyms

Name of Substance

  • Magainin B

Systematic Names

  • 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 I, 8-L-alanine-10-L-lysine-13-L-alanine-18-L-alanine-22-L-asparagine-23-L-serinamide-

Registry Numbers

CAS Registry Number

  • 117665-48-2

System Generated Number

  • 0117665482

Structure Descriptors

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

Smiles

C([C@@H](NC([C@H](CC(=O)N)NC(=O)[C@@H](NC([C@@H](NC([C@H](CCC(=O)O)NC(=O)[C@@H](NC([C@@H](NC([C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@H](Cc1[nH]cnc1)NC([C@H](CC(C)C)NC([C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC([C@@H](NC(=O)CN)[C@@H](CC)C)=O)CCCCN)=O)=O)=O)C)C)CCCCN)CCCCN)=O)C)CCCCN)C)=O)C(C)C)=O)C)=O)[C@@H](CC)C)=O)CCSC)=O)CO)(=O)N