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Substance Name: Magainin 2 peptide, Xenopus
RN: 108433-95-0
InChIKey: MGIUUAHJVPPFEV-ABXDCCGRSA-N

Classification Code

  • Anti-Infective Agents

Molecular Formula

  • C114-H180-N30-O29-S

Molecular Weight

  • 2466.92
 
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Names and Synonyms

Name of Substance

  • Magainin 2 peptide, Xenopus

Synonyms

  • Mag-2
  • Magainin II
  • Magainin-2
  • Z-12 Peptide

Systematic Name

  • Magainin I, 10-L-lysine-22-L-asparagine-

Registry Numbers

CAS Registry Number

  • 108433-95-0

System Generated Number

  • 0108433950

Structure Descriptors

InChI

1S/C114H180N30O29S/c1-12-65(7)94(142-88(148)55-119)112(170)124-59-90(150)129-74(38-24-28-45-116)100(158)137-81(51-70-33-19-15-20-34-70)106(164)135-79(49-63(3)4)105(163)138-83(53-72-56-121-62-125-72)107(165)140-85(60-145)110(168)127-67(9)96(154)131-75(39-25-29-46-117)101(159)132-76(40-26-30-47-118)102(160)136-80(50-69-31-17-14-18-32-69)98(156)122-57-89(149)128-73(37-23-27-44-115)99(157)126-68(10)97(155)134-82(52-71-35-21-16-22-36-71)109(167)143-93(64(5)6)111(169)123-58-91(151)130-77(41-42-92(152)153)104(162)144-95(66(8)13-2)113(171)133-78(43-48-174-11)103(161)139-84(54-87(120)147)108(166)141-86(61-146)114(172)173/h14-22,31-36,56,62-68,73-86,93-95,145-146H,12-13,23-30,37-55,57-61,115-119H2,1-11H3,(H2,120,147)(H,121,125)(H,122,156)(H,123,169)(H,124,170)(H,126,157)(H,127,168)(H,128,149)(H,129,150)(H,130,151)(H,131,154)(H,132,159)(H,133,171)(H,134,155)(H,135,164)(H,136,160)(H,137,158)(H,138,163)(H,139,161)(H,140,165)(H,141,166)(H,142,148)(H,143,167)(H,144,162)(H,152,153)(H,172,173)/t65-,66-,67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-,95-/m0/s1

InChIKey

MGIUUAHJVPPFEV-ABXDCCGRSA-N

Smiles

N([C@H](C(=O)N[C@H](C(N[C@@H](Cc1ccccc1)C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(N)=O)CCSC)=O)[C@H](CC)C)=O)CCC(O)=O)=O)=O)C(C)C)=O)=O)C)CCCCN)C(CNC([C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@H](CO)NC([C@@H](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)Cc1cnc[nH]1)=O)C)=O)CCCCN)=O)CCCCN)Cc1ccccc1)=O)=O