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Substance Name: mu-Conotoxin K IIIA
RN: 884469-67-4
UNII: 390H5GUO40
InChIKey: PRXVBAUMWHTDJW-FMSJUDGMSA-N

Molecular Formula

  • C70-H106-N28-O22-S6

Molecular Weight

  • 1884.1774
 
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Names and Synonyms

Name of Substance

  • mu-Conotoxin K IIIA

Synonyms

  • Ccncsskwcrdhsrcc-NH2 cyclic (1->9),(2->15),(4->16)
  • L-Cysteinamide, 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 (1->9),(2->15),(4->16)-tris(disulfide)
  • mu-Conotoxin K IIIA
  • UNII-390H5GUO40

Registry Numbers

CAS Registry Number

  • 884469-67-4

FDA UNII

  • 390H5GUO40

System Generated Number

  • 0884469674

Structure Descriptors

InChI

1S/C70H106N28O22S6/c71-12-4-3-9-36-55(107)87-39(15-31-19-82-35-8-2-1-7-33(31)35)58(110)97-48-27-123-121-24-34(72)54(106)95-47-26-125-126-29-50(68(120)94-46(53(74)105)25-122-124-28-49(98-60(112)41(17-51(73)102)89-66(47)118)67(119)93-45(23-101)64(116)92-44(22-100)63(115)84-36)96-57(109)38(11-6-14-81-70(77)78)85-62(114)43(21-99)91-59(111)40(16-32-20-79-30-83-32)88-61(113)42(18-52(103)104)90-56(108)37(86-65(48)117)10-5-13-80-69(75)76/h1-2,7-8,19-20,30,34,36-50,82,99-101H,3-6,9-18,21-29,71-72H2,(H2,73,102)(H2,74,105)(H,79,83)(H,84,115)(H,85,114)(H,86,117)(H,87,107)(H,88,113)(H,89,118)(H,90,108)(H,91,111)(H,92,116)(H,93,119)(H,94,120)(H,95,106)(H,96,109)(H,97,110)(H,98,112)(H,103,104)(H4,75,76,80)(H4,77,78,81)/t34-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

PRXVBAUMWHTDJW-FMSJUDGMSA-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)[C@@H](N)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](Cc6cnc[nH]6)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