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Substance Name: L-Tyrosine, 3-hydroxy-N-(3-hydroxy-N-(3-hydroxy-L-tyrosyl)-L-tyrosyl)-, hydrate (1:4)
RN: 52370-62-4
InChIKey: ZAYTZDQQAPUMRU-BZSNNMDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-N3-O10.4H2-O

Molecular Weight

  • 555.5371
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-N-(3-hydroxy-N-(3-hydroxy-L-tyrosyl)-L-tyrosyl)-L-tyrosine hydrate (1:4)
  • L-Dopa-L-dopa-L-dopa

Systematic Name

  • L-Tyrosine, 3-hydroxy-N-(3-hydroxy-N-(3-hydroxy-L-tyrosyl)-L-tyrosyl)-, hydrate (1:4)

Registry Numbers

CAS Registry Number

  • 52370-62-4

System Generated Number

  • 0052370624

Molecular Formulas

Molecular Formula

  • C27-H29-N3-O10.4H2-O

Molecular Formula Fragments

  • C27-H29-N3-O10
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H29N3O10/c28-16(7-13-1-4-19(31)22(34)10-13)25(37)29-17(8-14-2-5-20(32)23(35)11-14)26(38)30-18(27(39)40)9-15-3-6-21(33)24(36)12-15/h1-6,10-12,16-18,31-36H,7-9,28H2,(H,29,37)(H,30,38)(H,39,40)/t16-,17-,18-/m0/s1

InChIKey

ZAYTZDQQAPUMRU-BZSNNMDCSA-N

Smiles

c1cc(c(cc1C[C@@H](C(=O)N[C@@H](Cc2ccc(c(c2)O)O)C(=O)N[C@@H](Cc3ccc(c(c3)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.