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Substance Name: Viroisin, 2-(2-methylsulfinyl)-2-tryptophan-
RN: 74125-17-0
InChIKey: YXPPGQLZLHIPJN-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C38-H56-N8-O15-S

Molecular Weight

  • 896.967
 
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Names and Synonyms

Synonyms

  • 2-(2-Methylsulfinyl)-2-tryptophanviroisin
  • Deoxoviroisin

Systematic Name

  • Viroisin, 2-(2-methylsulfinyl)-2-tryptophan-

Registry Numbers

CAS Registry Number

  • 74125-17-0

System Generated Number

  • 0074125170

Structure Descriptors

InChI

1S/C38H56N8O15S/c1-16(2)26-33(56)45-27(18(4)50)34(57)42-24(13-47)37(59)46-12-25(51)29(52)28(46)35(58)39-17(3)30(53)40-22(10-20-19-8-6-7-9-21(19)43-36(20)62(5)61)31(54)41-23(32(55)44-26)11-38(60,14-48)15-49/h6-9,16-18,22-29,43,47-52,60H,10-15H2,1-5H3,(H,39,58)(H,40,53)(H,41,54)(H,42,57)(H,44,55)(H,45,56)

InChIKey

YXPPGQLZLHIPJN-UHFFFAOYSA-N

Smiles

[nH]1c2c(c(C[C@@H]3C(N[C@@H](CC(CO)(CO)O)C(N[C@@H](C(N[C@@H]([C@@H](C)O)C(N[C@@H](C(N4[C@@H](C(N[C@@H](C(=O)N3)C)=O)[C@@H](O)[C@@H](C4)O)=O)CO)=O)=O)C(C)C)=O)=O)c1[S@@](C)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3350ug/kg (3.35mg/kg) LIVER: OTHER CHANGES Fundamental and Applied Toxicology. Vol. 5, Pg. 1144, 1985.