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Substance Name: Nikkomycin J
RN: 77368-59-3
InChIKey: JGINXUGXMDDSJF-UHFFFAOYSA-N

Note

  • Isolated from Streptomyces tendae.

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C25-H32-N6-O13

Molecular Weight

  • 624.557
 
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Names and Synonyms

Name of Substance

  • Nikkomycin J

Synonyms

  • BRN 5212471
  • Nikkomycin J

Systematic Names

  • L-Glutamic acid, N-(L-2-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)tetrahydro-3,4-dihydroxy-2-furanyl)-N-((3S,4S)-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-L-valyl)glycyl)-, (2R-(2alpha,3beta,4beta,5alpha))-
  • L-Glutamic acid, N-(L-2-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)tetrahydro-3,4-dihydroxy-2-furanyl)-N-((3S,4S)-4-hydroxy-4-(5-hydroxy-2-pyrimidinyl)-L-valyl)glycyl)-, (2R-(2-alpha,3-beta,4-beta,5-alpha))-

Registry Numbers

CAS Registry Number

  • 77368-59-3

System Generated Number

  • 0077368593

Structure Descriptors

InChI

1S/C25H32N6O13/c1-9(17(36)11-3-2-10(32)8-27-11)15(26)21(39)30-16(22(40)28-12(24(41)42)4-5-14(34)35)20-18(37)19(38)23(44-20)31-7-6-13(33)29-25(31)43/h2-3,6-9,12,15-20,23,32,36-38H,4-5,26H2,1H3,(H,28,40)(H,30,39)(H,34,35)(H,41,42)(H,29,33,43)

InChIKey

JGINXUGXMDDSJF-UHFFFAOYSA-N

Smiles

c1(=O)ccn([C@@H]2O[C@@H]([C@@H](NC([C@@H]([C@@H]([C@@H](O)c3ccc(cn3)O)C)N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@@H]2O)c(=O)[nH]1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #81-25198,