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Substance Name: Phenylthiohydantoin-3,4-dihydroxyphenylalanine
RN: 132828-63-8
InChIKey: BOKLBORREWQWRR-LBPRGKRZSA-N

Molecular Formula

  • C16-H14-N2-O3-S

Molecular Weight

  • 314.364
 
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Names and Synonyms

Name of Substance

  • Phenylthiohydantoin-3,4-dihydroxyphenylalanine

Synonyms

  • (S)-5-((3,4-Dihydroxyphenyl)methyl)-3-phenyl-2-thioxo-4-imidazolidinone
  • Pth-dopa

Systematic Name

  • 4-Imidazolidinone, 5-((3,4-dihydroxyphenyl)methyl)-3-phenyl-2-thioxo-, (S)-

Registry Numbers

CAS Registry Number

  • 132828-63-8

System Generated Number

  • 0132828638

Structure Descriptors

InChI

1S/C16H14N2O3S/c19-13-7-6-10(9-14(13)20)8-12-15(21)18(16(22)17-12)11-4-2-1-3-5-11/h1-7,9,12,19-20H,8H2,(H,17,22)/t12-/m0/s1

InChIKey

BOKLBORREWQWRR-LBPRGKRZSA-N

Smiles

N1(C(=O)[C@H](Cc2ccc(c(c2)O)O)NC1=S)c1ccccc1