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Substance Name: L-Phenylalanine, N-(1-(2-methyl-1-oxo-3-((1-oxopropyl)thio)propyl)-L-prolyl)-, (S)-
RN: 74259-02-2
InChIKey: UIYPRZQMTGXSEH-PVAVHDDUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N2-O5-S

Molecular Weight

  • 420.5272
 
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Names and Synonyms

Synonyms

  • (S)-N-(1-(2-Methyl-1-oxo-3-((1-oxopropyl)thio)propyl)-L-prolyl)-L-phenylalanine
  • 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine

Systematic Name

  • L-Phenylalanine, N-(1-(2-methyl-1-oxo-3-((1-oxopropyl)thio)propyl)-L-prolyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 74259-02-2

System Generated Number

  • 0074259022

Structure Descriptors

InChI

1S/C21H28N2O5S/c1-3-18(24)29-13-14(2)20(26)23-11-7-10-17(23)19(25)22-16(21(27)28)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3,(H,22,25)(H,27,28)/t14-,16+,17+/m1/s1

InChIKey

UIYPRZQMTGXSEH-PVAVHDDUSA-N

Smiles

CCC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #7477,
mouse LD50 oral > 6gm/kg (6000mg/kg)   European Patent Application. Vol. #7477,