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Substance Name: Benarthin
RN: 143651-45-0
InChIKey: RYFDAFYFFUVLNW-QRTLGDNMSA-N

Note

  • From Streptomyces xanthophaeus MJ244-SF1; inhibitor of pyroglutamyl peptidase.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N5-O7

Molecular Weight

  • 411.413
 
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Names and Synonyms

Name of Substance

  • Benarthin

Synonyms

  • Benarthin
  • N-(N(sup 2)-(2,3-Dihydroxybenzoyl)-L-arginyl)-L-threonine

Systematic Names

  • L-Threonine, N-(N(sup 2)-(2,3-dihydroxybenzoyl)-L-arginyl)-
  • L-Threonine, N-(N2-(2,3-dihydroxybenzoyl)-L-arginyl)-

Registry Numbers

CAS Registry Number

  • 143651-45-0

System Generated Number

  • 0143651450

Structure Descriptors

InChI

1S/C17H25N5O7/c1-8(23)12(16(28)29)22-15(27)10(5-3-7-20-17(18)19)21-14(26)9-4-2-6-11(24)13(9)25/h2,4,6,8,10,12,23-25H,3,5,7H2,1H3,(H,21,26)(H,22,27)(H,28,29)(H4,18,19,20)/t8-,10+,12+/m1/s1

InChIKey

RYFDAFYFFUVLNW-QRTLGDNMSA-N

Smiles

C([C@@H](NC([C@@H](NC(c1c(c(ccc1)O)O)=O)CCCNC(=N)N)=O)[C@@H](C)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 1079, 1992.