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Substance Name: Glycine, N-(N-L-gamma-glutamyl-S-(imino(2,3,4,6-tetrachloro-5-cyanophenyl) methyl)-L-cysteinyl)-
RN: 130916-09-5
InChIKey: AMVFVCHAZODUCT-YUMQZZPRSA-N

Molecular Formula

  • C18-H17-Cl4-N5-O6-S

Molecular Weight

  • 573.2393
 
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Names and Synonyms

Synonym

  • Chlorothalonil monoglutathione conjugate

Systematic Name

  • Glycine, N-(N-L-gamma-glutamyl-S-(imino(2,3,4,6-tetrachloro-5-cyanophenyl) methyl)-L-cysteinyl)-

Registry Numbers

CAS Registry Number

  • 130916-09-5

System Generated Number

  • 0130916095

Structure Descriptors

InChI

1S/C18H17Cl4N5O6S/c19-12-6(3-23)13(20)15(22)14(21)11(12)16(25)34-5-8(17(31)26-4-10(29)30)27-9(28)2-1-7(24)18(32)33/h7-8,25H,1-2,4-5,24H2,(H,26,31)(H,27,28)(H,29,30)(H,32,33)/t7-,8-/m0/s1

InChIKey

AMVFVCHAZODUCT-YUMQZZPRSA-N

Smiles

C(CC(=O)N[C@@H](CSC(=N)c1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl)C(=O)NCC(=O)O)[C@@H](C(=O)O)N