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Substance Name: Magainin A
RN: 117665-47-1
InChIKey: PIMDIROPKFPSDI-BXRJKVPUSA-N

Molecular Formula

  • C117-H187-N31-O27-S

Molecular Weight

  • 2492.0203
 
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Names and Synonyms

Name of Substance

  • Magainin A

Systematic Name

  • Magainin I (Xenopus laevis), 1-beta-alanine-8-L-alanine-10-L-lysine-13-L-alanine-18-L-alanine-22-L-asparagine-23-L-serinamide-

Registry Numbers

CAS Registry Number

  • 117665-47-1

System Generated Number

  • 0117665471

Structure Descriptors

InChI

1S/C117H187N31O27S/c1-15-66(7)95(146-91(151)46-52-122)115(173)126-61-92(152)133-77(40-26-30-48-118)104(162)142-85(56-74-36-22-18-23-37-74)112(170)140-83(54-64(3)4)111(169)143-87(58-76-60-125-63-127-76)110(168)130-68(9)98(156)128-69(10)99(157)135-79(42-28-32-50-120)105(163)137-80(43-29-33-51-121)106(164)141-84(55-73-34-20-17-21-35-73)109(167)131-70(11)100(158)134-78(41-27-31-49-119)103(161)129-71(12)102(160)139-86(57-75-38-24-19-25-39-75)114(172)147-94(65(5)6)116(174)132-72(13)101(159)136-81(44-45-93(153)154)108(166)148-96(67(8)16-2)117(175)138-82(47-53-176-14)107(165)144-88(59-90(123)150)113(171)145-89(62-149)97(124)155/h17-25,34-39,60,63-72,77-89,94-96,149H,15-16,26-33,40-59,61-62,118-122H2,1-14H3,(H2,123,150)(H2,124,155)(H,125,127)(H,126,173)(H,128,156)(H,129,161)(H,130,168)(H,131,167)(H,132,174)(H,133,152)(H,134,158)(H,135,157)(H,136,159)(H,137,163)(H,138,175)(H,139,160)(H,140,170)(H,141,164)(H,142,162)(H,143,169)(H,144,165)(H,145,171)(H,146,151)(H,147,172)(H,148,166)(H,153,154)/t66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,94-,95-,96-/m0/s1

InChIKey

PIMDIROPKFPSDI-BXRJKVPUSA-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](C)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)CCN