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Substance Name: Endothelin-1
RN: 117399-94-7
UNII: 2K62B8Z6XF
InChIKey: ZUBDGKVDJUIMQQ-VVTNISDDSA-N

Molecular Formula

  • C109-H159-N25-O32-S5

Molecular Weight

  • 2491.9281
 
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Names and Synonyms

Name of Substance

  • Endothelin-1

Synonyms

  • Endotelin-1(porcine)
  • Endothelin 1 (human)
  • Endothelin 1 (pig)
  • Endothelin 1 (Rana ridibunda)
  • Endothelin 1 (Rat)
  • Human endothelin
  • Human endothelin (1-21)
  • Human endothelin 1
  • Porcine endothelin
  • Porcine endothelin(1-21)
  • Porcine endothelin-1
  • UNII-2K62B8Z6XF

Systematic Name

  • Endothelin 1 (swine)

Registry Numbers

CAS Registry Number

  • 117399-94-7

FDA UNII

  • 2K62B8Z6XF

Other Registry Numbers

  • 121395-76-4
  • 132244-33-8

System Generated Number

  • 0117399947

Structure Descriptors

InChI

1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64-,66-,67-,68-,69-,70-,71+,72+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1

InChIKey

ZUBDGKVDJUIMQQ-VVTNISDDSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N[C@H](Cc5ccccc5)C(=O)N2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc6c[nH]c7ccccc67)C(=O)O