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Substance Name: Magainin G
RN: 117682-76-5
InChIKey: MGYZVMMHKLKEHR-QTRCTKFUSA-N

Molecular Formula

  • C117-H187-N31-O28-S

Molecular Weight

  • 2508.0193
 
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Names and Synonyms

Name of Substance

  • Magainin G

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117682-76-5

System Generated Number

  • 0117682765

Structure Descriptors

InChI

1S/C117H187N31O28S/c1-14-66(7)95(146-91(152)45-51-122)115(174)126-60-92(153)132-76(39-25-29-47-118)103(162)141-84(55-73-35-21-17-22-36-73)110(169)139-82(53-64(3)4)109(168)142-86(57-75-59-125-63-127-75)111(170)145-89(62-150)114(173)130-69(10)99(158)134-78(41-27-31-49-120)104(163)136-79(42-28-32-50-121)105(164)140-83(54-72-33-19-16-20-34-72)108(167)129-68(9)98(157)133-77(40-26-30-48-119)102(161)128-70(11)101(160)138-85(56-74-37-23-18-24-38-74)113(172)147-94(65(5)6)116(175)131-71(12)100(159)135-80(43-44-93(154)155)107(166)148-96(67(8)15-2)117(176)137-81(46-52-177-13)106(165)143-87(58-90(123)151)112(171)144-88(61-149)97(124)156/h16-24,33-38,59,63-71,76-89,94-96,149-150H,14-15,25-32,39-58,60-62,118-122H2,1-13H3,(H2,123,151)(H2,124,156)(H,125,127)(H,126,174)(H,128,161)(H,129,167)(H,130,173)(H,131,175)(H,132,153)(H,133,157)(H,134,158)(H,135,159)(H,136,163)(H,137,176)(H,138,160)(H,139,169)(H,140,164)(H,141,162)(H,142,168)(H,143,165)(H,144,171)(H,145,170)(H,146,152)(H,147,172)(H,148,166)(H,154,155)/t66-,67-,68-,69-,70-,71-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,94-,95-,96-/m0/s1

InChIKey

MGYZVMMHKLKEHR-QTRCTKFUSA-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)CCN