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Substance Name: L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-
RN: 124815-64-1
InChIKey: IILAXUDEBIWXHF-SMDDNHRTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O4-S

Molecular Weight

  • 323.4109
 
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Names and Synonyms

Synonyms

  • (S)-N-(2-((Acetylthio)methyl)-1-oxo-3-phenylpropyl)-L-alanine methyl ester
  • (S)-N-(2-Acetylthiomethyl-1-oxo-3-phenylpropyl)-(S)-alanine methyl ester

Systematic Name

  • L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-

Registry Numbers

CAS Registry Number

  • 124815-64-1

System Generated Number

  • 0124815641

Structure Descriptors

InChI

1S/C16H21NO4S/c1-11(16(20)21-3)17-15(19)14(10-22-12(2)18)9-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,17,19)/t11-,14+/m0/s1

InChIKey

IILAXUDEBIWXHF-SMDDNHRTSA-N

Smiles

C[C@@H](C(=O)OC)NC(=O)[C@H](Cc1ccccc1)CSC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5331008,