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Substance Name: Magainin H
RN: 122564-51-6
InChIKey: OUWDLUAYXCGSSS-KIKDIOEMSA-N

Molecular Formula

  • C116-H185-N31-O28-S

Molecular Weight

  • 2493.9925
 
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Names and Synonyms

Name of Substance

  • Magainin H

Systematic Name

  • Magainin I, 9-D-alanine-10-L-lysine-13-D-alanine-18-D-alanine-22-L-asparagine-23-L-serinamide-

Registry Numbers

CAS Registry Number

  • 122564-51-6

System Generated Number

  • 0122564516

Structure Descriptors

InChI

1S/C116H185N31O28S/c1-14-65(7)94(145-90(151)57-121)114(173)125-59-91(152)131-75(39-25-29-46-117)102(161)140-83(53-72-35-21-17-22-36-72)109(168)138-81(51-63(3)4)108(167)141-85(55-74-58-124-62-126-74)110(169)144-88(61-149)113(172)129-68(10)98(157)133-77(41-27-31-48-119)103(162)135-78(42-28-32-49-120)104(163)139-82(52-71-33-19-16-20-34-71)107(166)128-67(9)97(156)132-76(40-26-30-47-118)101(160)127-69(11)100(159)137-84(54-73-37-23-18-24-38-73)112(171)146-93(64(5)6)115(174)130-70(12)99(158)134-79(43-44-92(153)154)106(165)147-95(66(8)15-2)116(175)136-80(45-50-176-13)105(164)142-86(56-89(122)150)111(170)143-87(60-148)96(123)155/h16-24,33-38,58,62-70,75-88,93-95,148-149H,14-15,25-32,39-57,59-61,117-121H2,1-13H3,(H2,122,150)(H2,123,155)(H,124,126)(H,125,173)(H,127,160)(H,128,166)(H,129,172)(H,130,174)(H,131,152)(H,132,156)(H,133,157)(H,134,158)(H,135,162)(H,136,175)(H,137,159)(H,138,168)(H,139,163)(H,140,161)(H,141,167)(H,142,164)(H,143,170)(H,144,169)(H,145,151)(H,146,171)(H,147,165)(H,153,154)/t65-,66-,67+,68+,69-,70+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,93-,94-,95-/m0/s1

InChIKey

OUWDLUAYXCGSSS-KIKDIOEMSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N)NC(=O)CN