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Substance Name: Pentanoic acid, 4-((2-(((1,3-dihydro-3-oxo-1-isobenzofuranyl)thio)methyl)-1-oxo-3-phenylpropyl)amino)-5-oxo-5-(phenylamino)-
RN: 126349-54-0
InChIKey: UCKIGKLABZRMHX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H28-N2-O6-S

Molecular Weight

  • 532.6142
 
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Names and Synonyms

Synonyms

  • N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid
  • RTECS SF3101000

Systematic Name

  • Pentanoic acid, 4-((2-(((1,3-dihydro-3-oxo-1-isobenzofuranyl)thio)methyl)-1-oxo-3-phenylpropyl)amino)-5-oxo-5-(phenylamino)-

Registry Numbers

CAS Registry Number

  • 126349-54-0

System Generated Number

  • 0126349540

Structure Descriptors

InChI

1S/C29H28N2O6S/c32-25(33)16-15-24(27(35)30-21-11-5-2-6-12-21)31-26(34)20(17-19-9-3-1-4-10-19)18-38-29-23-14-8-7-13-22(23)28(36)37-29/h1-14,20,24,29H,15-18H2,(H,30,35)(H,31,34)(H,32,33)

InChIKey

UCKIGKLABZRMHX-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CC(CSC2c3ccccc3C(=O)O2)C(=O)NC(CCC(=O)O)C(=O)Nc4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   United States Patent Document. Vol. #5317021,