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Substance Name: L-Glutamic acid, N-(3-hydroxy-L-tyrosyl)-, hydrate (2:1)
RN: 52370-53-3
InChIKey: HHDWCWSCFVKBGI-IUCAKERBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N2-O7.1/2H2-O

Molecular Weight

  • 326.3032
 
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Names and Synonyms

Synonym

  • N-(3-Hydroxy-L-tyrosyl)-L-glutamic acid hydrate (2:1)

Systematic Name

  • L-Glutamic acid, N-(3-hydroxy-L-tyrosyl)-, hydrate (2:1)

Registry Numbers

CAS Registry Number

  • 52370-53-3

System Generated Number

  • 0052370533

Molecular Formulas

Molecular Formula

  • C14-H18-N2-O7.1/2H2-O

Molecular Formula Fragments

  • C14-H18-N2-O7
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H18N2O7/c15-8(5-7-1-3-10(17)11(18)6-7)13(21)16-9(14(22)23)2-4-12(19)20/h1,3,6,8-9,17-18H,2,4-5,15H2,(H,16,21)(H,19,20)(H,22,23)/t8-,9-/m0/s1

InChIKey

HHDWCWSCFVKBGI-IUCAKERBSA-N

Smiles

c1cc(c(cc1C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)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.