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Substance Name: mu-Conotoxin G IIIB
RN: 140678-12-2
UNII: V0392408J4
InChIKey: LMSUYJUOBAMKKS-NCJWVJNKSA-N

Molecular Formula

  • C101-H175-N39-O30-S7

Molecular Weight

  • 2640.1985
 
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Names and Synonyms

Name of Substance

  • mu-Conotoxin G IIIB

Synonyms

  • Conotoxin G IIIB
  • Geographutoxin I, 8-L-arginine-14-L-arginine-18-L-methionine-19-L-lysine-
  • Geographutoxin II
  • L-Alaninamide, L-arginyl-L-alpha-aspartyl-L-cysteinyl-L-cysteinyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4R)-4-hydroxy-L-prolyl-L-arginyl-L-lysyl-L-cysteinyl-L-lysyl-L-alpha-aspartyl-L-arginyl-L-arginyl-L-cysteinyl-L-lysyl-(4R)-4-hydroxy-L-prolyl-L-
  • mu-Conotoxin G IIIB
  • UNII-V0392408J4

Registry Numbers

CAS Registry Number

  • 140678-12-2

FDA UNII

  • V0392408J4

System Generated Number

  • 0140678122

Structure Descriptors

InChI

1S/C101H175N39O30S7/c1-48(76(107)149)120-87(160)64-42-172-173-43-65-88(161)125-54(17-4-8-25-102)80(153)130-63(38-74(147)148)85(158)124-57(21-13-30-117-99(110)111)78(151)123-58(22-14-31-118-100(112)113)83(156)132-66-44-174-176-46-68(134-86(159)62(37-73(145)146)129-77(150)53(106)16-12-29-116-98(108)109)91(164)136-69(47-177-175-45-67(90(163)135-64)133-82(155)56(19-6-10-27-104)122-84(157)60(24-33-171-3)127-93(166)70-34-50(142)39-138(70)95(168)61(128-89(66)162)20-7-11-28-105)92(165)137-75(49(2)141)97(170)140-41-52(144)36-72(140)96(169)139-40-51(143)35-71(139)94(167)126-59(23-15-32-119-101(114)115)79(152)121-55(81(154)131-65)18-5-9-26-103/h48-72,75,141-144H,4-47,102-106H2,1-3H3,(H2,107,149)(H,120,160)(H,121,152)(H,122,157)(H,123,151)(H,124,158)(H,125,161)(H,126,167)(H,127,166)(H,128,162)(H,129,150)(H,130,153)(H,131,154)(H,132,156)(H,133,155)(H,134,159)(H,135,163)(H,136,164)(H,137,165)(H,145,146)(H,147,148)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t48-,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,75-/m0/s1

InChIKey

LMSUYJUOBAMKKS-NCJWVJNKSA-N

Smiles

CSCC[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]4CSSC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@@H]6C[C@@H](O)CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3)C(=O)N[C@@H](C)C(=O)N