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Substance Name: JE-2147
RN: 186538-00-1
InChIKey: CUFQBQOBLVLKRF-RZDMPUFOSA-N

Molecular Formula

  • C32-H37-N3-O5-S

Molecular Weight

  • 575.7263
 
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Names and Synonyms

Name of Substance

  • JE-2147

Synonyms

  • AG 1776
  • AG1776
  • JE-2147
  • KNI-764

Systematic Name

  • 4-Thiazolidinecarboxamide, 3-((2S,3S)-2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-1-oxo-4-phenylbutyl)-5,5-dimethyl-N-((2-methylphenyl)methyl)-, (4R)-

Registry Numbers

CAS Registry Number

  • 186538-00-1

System Generated Number

  • 0186538001

Structure Descriptors

InChI

1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1

InChIKey

CUFQBQOBLVLKRF-RZDMPUFOSA-N

Smiles

Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C