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Substance Name: Kynostatin 227
RN: 147384-69-8
InChIKey: AHWCYDXQIXZVRK-RPQLRNILSA-N

Note

  • Contains allophenylnorstatine as a transition-state mimic.

Molecular Formula

  • C35-H45-N5-O6-S2

Molecular Weight

  • 695.901
 
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Names and Synonyms

Name of Substance

  • Kynostatin 227

Synonyms

  • Kni-227
  • Kynostatin-227

Systematic Names

  • 4-Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-((2S,3S)-2-hydroxy-3-(((2R)-2-(((5-isoquinolinyloxy)acetyl)amino)-3-(methylthio)-1-oxopropyl)amino)-1-oxo-4-phenylbutyl)-5,5-dimethyl-, (4R)-
  • 4-Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-(2-hydroxy-3-((2-(((5-isoquinolinyloxy)acetyl)amino)-3-(methylthio)-1-oxopropyl)amino)-1-oxo-4-phenylbutyl)-5,5-dimethyl-, (4R-(3(2s*,3S*(R*)),4R*))-

Registry Numbers

CAS Registry Number

  • 147384-69-8

System Generated Number

  • 0147384698

Structure Descriptors

InChI

1S/C35H45N5O6S2/c1-34(2,3)39-32(44)30-35(4,5)48-21-40(30)33(45)29(42)25(17-22-11-8-7-9-12-22)38-31(43)26(20-47-6)37-28(41)19-46-27-14-10-13-23-18-36-16-15-24(23)27/h7-16,18,25-26,29-30,42H,17,19-21H2,1-6H3,(H,37,41)(H,38,43)(H,39,44)/t25-,26-,29-,30+/m0/s1

InChIKey

AHWCYDXQIXZVRK-RPQLRNILSA-N

Smiles

C1N(C(=O)[C@H]([C@@H](NC([C@@H](NC(COc2cccc3cnccc23)=O)CSC)=O)Cc2ccccc2)O)[C@@H](C(S1)(C)C)C(=O)NC(C)(C)C