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Substance Name: L-Cysteine, N-acetyl-S-((5,8-dihydro-1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxo-2-naphthalenyl)methyl)-
RN: 91776-44-2
InChIKey: XMGJRXDFMZYRQG-LBPRGKRZSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C18-H19-N-O8-S

Molecular Weight

  • 409.413
 
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Names and Synonyms

Synonym

  • Fibrostatin E

Systematic Name

  • L-Cysteine, N-acetyl-S-((5,8-dihydro-1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxo-2-naphthalenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 91776-44-2

System Generated Number

  • 0091776442

Structure Descriptors

InChI

1S/C18H19NO8S/c1-8(21)19-12(18(25)26)7-28-6-11-14(27-2)4-10-13(22)3-9(5-20)16(23)15(10)17(11)24/h3-4,12,20,24H,5-7H2,1-2H3,(H,19,21)(H,25,26)/t12-/m0/s1

InChIKey

XMGJRXDFMZYRQG-LBPRGKRZSA-N

Smiles

c12c(cc(OC)c(c1O)CSC[C@H](NC(C)=O)C(O)=O)C(C=C(C2=O)CO)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Antibiotics. Vol. 40, Pg. 1231, 1987.