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Substance Name: Sarafotoxin-b
RN: 116303-65-2
InChIKey: GNKMHJZCKAUKSE-RAALVGGVSA-N

Molecular Formula

  • C110-H163-N27-O34-S5

Molecular Weight

  • 2568.9668
 
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Names and Synonyms

Results Name

  • Sarafotoxin-b

Systematic Names

  • Sarafotoxin S 6b (reduced)
  • Sarafotoxin-b
  • Sarafotoxin-b (Atractaspis engaddensis clone S33)

Registry Numbers

CAS Registry Number

  • 116303-65-2

System Generated Number

  • 0116303652

Structure Descriptors

InChI

1S/C110H162N26O35S5/c1-9-55(6)88(108(168)134-87(54(4)5)107(167)129-77(110(170)171)40-59-45-115-64-22-14-13-21-62(59)64)135-102(162)76(44-86(148)149)127-93(153)67(29-31-82(140)141)120-99(159)73(41-60-46-114-52-116-60)125-106(166)81(51-175)132-98(158)71(38-57-19-11-10-12-20-57)124-97(157)72(39-58-25-27-61(139)28-26-58)123-96(156)70(37-53(2)3)122-105(165)80(50-174)131-94(154)68(30-32-83(142)143)119-91(151)65(23-15-17-34-111)117-101(161)75(43-85(146)147)128-109(169)89(56(7)138)136-95(155)69(33-36-176-8)121-100(160)74(42-84(144)145)126-92(152)66(24-16-18-35-112)118-104(164)79(49-173)133-103(163)78(47-137)130-90(150)63(113)48-172/h10-14,19-22,25-28,45-46,52-56,63,65-81,87-89,115,137-139,172-175H,9,15-18,23-24,29-44,47-51,111-113H2,1-8H3,(H,114,116)(H,117,161)(H,118,164)(H,119,151)(H,120,159)(H,121,160)(H,122,165)(H,123,156)(H,124,157)(H,125,166)(H,126,152)(H,127,153)(H,128,169)(H,129,167)(H,130,150)(H,131,154)(H,132,158)(H,133,163)(H,134,168)(H,135,162)(H,136,155)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,170,171)/t55-,56+,63-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-,88-,89-/m0/s1

InChIKey

GNKMHJZCKAUKSE-RAALVGGVSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CS)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N