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Substance Name: 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester
RN: 113561-32-3
InChIKey: XYMKUTJACRZQTR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-O4-S

Molecular Weight

  • 288.366
 
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Names and Synonyms

Synonym

  • BRN 5577136

Systematic Name

  • 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester

Registry Numbers

CAS Registry Number

  • 113561-32-3

System Generated Number

  • 0113561323

Structure Descriptors

InChI

1S/C12H20N2O4S/c1-4-18-11(17)7-5-6-8(13-7)14-9(10(15)16)12(2,3)19/h7,9,19H,4-6H2,1-3H3,(H,13,14)(H,15,16)

InChIKey

XYMKUTJACRZQTR-UHFFFAOYSA-N

Smiles

CCOC(=O)C1CCC(=N1)NC(C(=O)O)C(C)(C)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 842, 1987.