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Substance Name: L-Tyrosine, 3-hydroxy-N-(3-hydroxy-N-L-prolyl-L-tyrosyl)-, hydrate (2:1)
RN: 52370-63-5
InChIKey: BBKQYFMBRJYBRY-JYJNAYRXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N3-O8.1/2H2-O

Molecular Weight

  • 473.4793
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-N-(3-hydroxy-N-L-prolyl-L-tyrosyl)-L-tyrosine hydrate (2:1)
  • L-Pro-L-dopa-L-dopa

Systematic Name

  • L-Tyrosine, 3-hydroxy-N-(3-hydroxy-N-L-prolyl-L-tyrosyl)-, hydrate (2:1)

Registry Numbers

CAS Registry Number

  • 52370-63-5

System Generated Number

  • 0052370635

Molecular Formulas

Molecular Formula

  • C23-H27-N3-O8.1/2H2-O

Molecular Formula Fragments

  • C23-H27-N3-O8
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H27N3O8/c27-17-5-3-12(10-19(17)29)8-15(25-21(31)14-2-1-7-24-14)22(32)26-16(23(33)34)9-13-4-6-18(28)20(30)11-13/h3-6,10-11,14-16,24,27-30H,1-2,7-9H2,(H,25,31)(H,26,32)(H,33,34)/t14-,15-,16-/m0/s1

InChIKey

BBKQYFMBRJYBRY-JYJNAYRXSA-N

Smiles

c1cc(c(cc1C[C@@H](C(=O)N[C@@H](Cc2ccc(c(c2)O)O)C(=O)O)NC(=O)[C@@H]3CCCN3)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 422, 1974.