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Substance Name: Conotoxin GI, des-glu(1)-
RN: 92137-82-1
InChIKey: FTMXUWWSNKVHRM-XCNZWTKDSA-N

Molecular Formula

  • C50-H73-N19-O15-S4

Molecular Weight

  • 1308.51
 
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Names and Synonyms

Name of Substance

  • Conotoxin GI, des-glu(1)-

Synonym

  • Des-glu(1)-conotoxin GI

Systematic Name

  • Conotoxin G1 (reduced), 1-de-L-glutamic acid-, cyclic (2-7),(3-13)-bis(disulfide)

Registry Numbers

CAS Registry Number

  • 92137-82-1

System Generated Number

  • 0092137821

Structure Descriptors

InChI

1S/C50H73N19O15S4/c1-23-40(75)67-34-20-87-85-18-27(51)41(76)68-35(47(82)64-31(14-37(52)72)49(84)69-11-3-5-36(69)48(83)60-23)21-88-86-19-33(39(53)74)66-46(81)32(17-70)65-44(79)29(12-24-6-8-26(71)9-7-24)62-45(80)30(13-25-15-56-22-59-25)63-43(78)28(4-2-10-57-50(54)55)61-38(73)16-58-42(34)77/h6-9,15,22-23,27-36,70-71H,2-5,10-14,16-21,51H2,1H3,(H2,52,72)(H2,53,74)(H,56,59)(H,58,77)(H,60,83)(H,61,73)(H,62,80)(H,63,78)(H,64,82)(H,65,79)(H,66,81)(H,67,75)(H,68,76)(H4,54,55,57)/t23-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1

InChIKey

FTMXUWWSNKVHRM-XCNZWTKDSA-N

Smiles

[nH]1cncc1C[C@@H]1NC([C@H](CCCNC(N)=N)NC(CNC(=O)[C@H]2NC([C@@H](NC([C@@H]3CCCN3C([C@@H](NC([C@H](CSSC[C@H](NC(=O)[C@H](CO)NC([C@@H](NC1=O)Cc1ccc(cc1)O)=O)C(N)=O)NC([C@@H](N)CSSC2)=O)=O)CC(N)=O)=O)=O)C)=O)=O)=O