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Substance Name: mu-Conotoxin K iiia (reduced)
RN: 853922-32-4
UNII: 80LGL7CZ3F
InChIKey: BWFSZTWCQLIRGC-FMSJUDGMSA-N

Molecular Formula

  • C70-H112-N28-O22-S6

Molecular Weight

  • 1890.2248
 
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Names and Synonyms

Name of Substance

  • mu-Conotoxin K iiia (reduced)

Synonyms

  • Ccncsskwcrdhsrcc-NH2
  • 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-
  • mu-Conotoxin K iiia (reduced)
  • UNII-80LGL7CZ3F

Registry Numbers

CAS Registry Number

  • 853922-32-4

FDA UNII

  • 80LGL7CZ3F

System Generated Number

  • 0853922324

Structure Descriptors

InChI

1S/C70H112N28O22S6/c71-12-4-3-9-36(84-63(115)44(22-100)92-64(116)45(23-101)93-67(119)49(28-125)98-60(112)41(17-51(73)102)89-66(118)47(26-123)95-54(106)34(72)24-121)55(107)87-39(15-31-19-82-35-8-2-1-7-33(31)35)58(110)97-48(27-124)65(117)86-37(10-5-13-80-69(75)76)56(108)90-42(18-52(103)104)61(113)88-40(16-32-20-79-30-83-32)59(111)91-43(21-99)62(114)85-38(11-6-14-81-70(77)78)57(109)96-50(29-126)68(120)94-46(25-122)53(74)105/h1-2,7-8,19-20,30,34,36-50,82,99-101,121-126H,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

BWFSZTWCQLIRGC-FMSJUDGMSA-N

Smiles

NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N