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Substance Name: mu-Conotoxin K IIIB
RN: 1414409-06-5
UNII: Z5MJF4JC2P
InChIKey: SZMBDZCIMQNZAW-BPUXCRJYSA-N

Molecular Formula

  • C76-H115-N31-O25-S6

Molecular Weight

  • 2055.3325
 
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Names and Synonyms

Name of Substance

  • mu-Conotoxin K IIIB

Synonyms

  • L-Cysteinamide, L-asparaginylglycyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-cysteinyl-L-seryl-L-seryl-L-lysyl-L-tryptophyl-L-cysteinyl-L-arginyl-L-alpha-aspartyl-L-histidyl-L-seryl-L-arginyl-L-cysteinyl-, cyclic (3->17),(4->11),(6->18)-tris(disulfi
  • mu-Conotoxin K IIIB
  • Ngccncsskwcrdhsrcc cyclic (3->17),(4->11),(6->18)-tris(disulfide)
  • UNII-Z5MJF4JC2P

Registry Numbers

CAS Registry Number

  • 1414409-06-5

FDA UNII

  • Z5MJF4JC2P

System Generated Number

  • 1414409065

Structure Descriptors

InChI

1S/C76H115N31O25S6/c77-12-4-3-9-38-60(118)96-41(15-33-20-89-37-8-2-1-7-35(33)37)63(121)105-50-28-137-138-29-51-72(130)98-43(18-55(80)112)65(123)106-52(73(131)102-47(25-110)69(127)101-46(24-109)68(126)93-38)30-135-133-26-48(58(81)116)103-74(132)53(31-136-134-27-49(70(128)107-51)92-56(113)22-90-59(117)36(78)17-54(79)111)104-62(120)40(11-6-14-88-76(84)85)94-67(125)45(23-108)100-64(122)42(16-34-21-86-32-91-34)97-66(124)44(19-57(114)115)99-61(119)39(95-71(50)129)10-5-13-87-75(82)83/h1-2,7-8,20-21,32,36,38-53,89,108-110H,3-6,9-19,22-31,77-78H2,(H2,79,111)(H2,80,112)(H2,81,116)(H,86,91)(H,90,117)(H,92,113)(H,93,126)(H,94,125)(H,95,129)(H,96,118)(H,97,124)(H,98,130)(H,99,119)(H,100,122)(H,101,127)(H,102,131)(H,103,132)(H,104,120)(H,105,121)(H,106,123)(H,107,128)(H,114,115)(H4,82,83,87)(H4,84,85,88)/t36-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1

InChIKey

SZMBDZCIMQNZAW-BPUXCRJYSA-N

Smiles

NCCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc6c[nH]cn6)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3)C(=O)N[C@@H](CC(=O)N)C(=O)N2)C(=O)N