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Substance Name: beta-Endorphin (13-31)
RN: 98420-26-9
InChIKey: BQZGOBWGEBUFAL-CAZMFBKESA-N

Note

  • Amphiphilic helical segment containing only D-amino acids.

Molecular Formula

  • C111-H194-N28-O25

Molecular Weight

  • 2320.9246
 
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Names and Synonyms

Name of Substance

  • beta-Endorphin (13-31)

Synonyms

  • beta-Endorphin, des(1-13)-
  • beta-Endorphin-(13-31)
  • Des-(1-13) beta-endorphin

Systematic Name

  • D-Glutamine, D-prolyl-D-glutaminyl-D-leucyl-D-leucyl-D-lysyl-D-leucyl-D-leucyl-D-glutaminyl-D-leucyl-D-leucyl-D-lysyl-D-leucyl-D-leucyl-D-glutaminyl-D-lysyl-D-phenylalanyl-D-glutaminyl-D-lysyl-

Registry Numbers

CAS Registry Number

  • 98420-26-9

System Generated Number

  • 0098420269

Structure Descriptors

InChI

1S/C111H194N28O25/c1-60(2)51-79(135-108(160)85(57-66(13)14)133-100(152)76(38-43-90(118)142)126-93(145)69-35-28-50-121-69)102(154)124-73(34-23-27-49-115)96(148)132-84(56-65(11)12)107(159)138-82(54-63(7)8)105(157)128-77(39-44-91(119)143)101(153)134-86(58-67(15)16)109(161)136-80(52-61(3)4)103(155)125-72(33-22-26-48-114)95(147)131-83(55-64(9)10)106(158)137-81(53-62(5)6)104(156)127-74(36-41-88(116)140)98(150)123-71(32-21-25-47-113)97(149)139-87(59-68-29-18-17-19-30-68)110(162)129-75(37-42-89(117)141)99(151)122-70(31-20-24-46-112)94(146)130-78(111(163)164)40-45-92(120)144/h17-19,29-30,60-67,69-87,121H,20-28,31-59,112-115H2,1-16H3,(H2,116,140)(H2,117,141)(H2,118,142)(H2,119,143)(H2,120,144)(H,122,151)(H,123,150)(H,124,154)(H,125,155)(H,126,145)(H,127,156)(H,128,157)(H,129,162)(H,130,146)(H,131,147)(H,132,148)(H,133,152)(H,134,153)(H,135,160)(H,136,161)(H,137,158)(H,138,159)(H,139,149)(H,163,164)/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-/m1/s1

InChIKey

BQZGOBWGEBUFAL-CAZMFBKESA-N

Smiles

C(=O)(N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N)CCCCN)CCC(=O)N)Cc1ccccc1)CCCCN)CCC(=O)N)CC(C)C)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1NCCC1)CCC(=O)N)CC(C)C)CC(C)C)CCCCN)CC(C)C)CC(C)C)CCC(=O)N)CC(C)C)CC(C)C)CCCCN)CC(C)C