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Substance Name: TANDEM (quinoxaline)
RN: 63478-55-7
InChIKey: JLZYVPLGZIDPEB-UHFFFAOYSA-N

Note

  • Synthetic analog of quinoxaline antibiotics.

Molecular Formula

  • C46-H54-N12-O12-S2

Molecular Weight

  • 1031.14
 
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Names and Synonyms

Name of Substance

  • TANDEM (quinoxaline)

Synonyms

  • des-N-tetramethyltriostin A
  • Tandem

Systematic Names

  • L-Valine, N-(2-quinoxalinylcarbonyl)-D-seryl-L-alanyl-L-cysteinyl-, bimol. (4-1'),(4'-1)-dilactone, cyclic (3-3')-disulfide
  • L-Valine, N-(2-quinoxalinylcarbonyl)-D-seryl-L-alanyl-L-cysteinyl-, bimol. lactone, cyclic disulfide

Registry Numbers

CAS Registry Number

  • 63478-55-7

System Generated Number

  • 0063478557

Structure Descriptors

InChI

1S/C46H54N12O12S2/c1-5-11-29-45(67)69-19-33(55-39(61)31-17-47-25-13-7-9-15-27(25)51-31)41(63)49-24(4)38(60)58-36-22-72-71-21-35(43(65)53-29)57-37(59)23(3)50-42(64)34(20-70-46(68)30(12-6-2)54-44(36)66)56-40(62)32-18-48-26-14-8-10-16-28(26)52-32/h7-10,13-18,23-24,29-30,33-36H,5-6,11-12,19-22H2,1-4H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,59)(H,58,60)

InChIKey

JLZYVPLGZIDPEB-UHFFFAOYSA-N

Smiles

C1(=O)N[C@@H](C)C(N[C@@H]2CSSC[C@@H](C(N[C@@H](CCC)C(=O)OC[C@@H]1NC(c1nc3ccccc3nc1)=O)=O)NC([C@@H](NC([C@@H](COC([C@@H](NC2=O)CCC)=O)NC(=O)c1nc2c(nc1)cccc2)=O)C)=O)=O