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Substance Name: Pexiganan acetate [USAN]
RN: 172820-23-4
UNII: 63S35FF5KS
InChIKey: PAYZGDCWKMPDRW-ITJSRVBASA-N

Note

  • A 22 amino acid analog of magainin 2.

Classification Code

  • Treatment of Diabetic Foot Ulcer Infections (Antibacterial)

Molecular Weight

  • 2537.25
 
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Names and Synonyms

Name of Substance

  • Pexiganan acetate [USAN]

Synonyms

  • Cytolex
  • 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 acetate
  • MSI-78
  • Pexiganan acetate
  • UNII-63S35FF5KS

Registry Numbers

CAS Registry Number

  • 172820-23-4

FDA UNII

  • 63S35FF5KS

System Generated Number

  • 0172820234

Structure Descriptors

InChI

1S/C122H210N32O22.C2H4O2/c1-13-78(10)103(153-99(155)71-132)121(175)135-73-101(157)139-86(49-25-34-58-125)110(164)152-97(69-82-43-19-15-20-44-82)119(173)150-94(66-75(4)5)117(171)145-90(53-29-38-62-129)113(167)142-87(50-26-35-59-126)109(163)137-79(11)105(159)141-88(51-27-36-60-127)112(166)143-91(54-30-39-63-130)114(168)151-96(68-81-41-17-14-18-42-81)107(161)134-72-100(156)138-85(48-24-33-57-124)108(162)136-80(12)106(160)147-98(70-83-45-21-16-22-46-83)120(174)154-102(77(8)9)122(176)146-92(55-31-40-64-131)115(169)148-95(67-76(6)7)118(172)149-93(65-74(2)3)116(170)144-89(52-28-37-61-128)111(165)140-84(104(133)158)47-23-32-56-123;1-2(3)4/h14-22,41-46,74-80,84-98,102-103H,13,23-40,47-73,123-132H2,1-12H3,(H2,133,158)(H,134,161)(H,135,175)(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,144,170)(H,145,171)(H,146,176)(H,147,160)(H,148,169)(H,149,172)(H,150,173)(H,151,168)(H,152,164)(H,153,155)(H,154,174);1H3,(H,3,4)/t78-,79-,80-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,102-,103-;/m0./s1

InChIKey

PAYZGDCWKMPDRW-ITJSRVBASA-N

Smiles

CC(O)=O.N([C@@H](CCCCN)C(N)=O)C(=O)[C@H](CCCCN)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@H](CCCCN)NC([C@@H](NC([C@H](Cc1ccccc1)NC([C@@H](NC(CNC([C@@H](NC(CN)=O)[C@H](CC)C)=O)=O)CCCCN)=O)=O)CC(C)C)=O)CCCCN)=O)C)=O)CCCCN)=O)CCCCN)=O)Cc1ccccc1)=O)=O)CCCCN)=O)C)=O)Cc1ccccc1)=O)C(C)C)=O)CCCCN)=O)CC(C)C)=O)CC(C)C)=O