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Substance Name: Kynostatin 272
RN: 147318-81-8
UNII: MUL0OE3YBF
InChIKey: NJBBLOIWMSYVCQ-VZTVMPNDSA-N

Note

  • Contains allophenylnorstatine as a transition-state mimic.

Molecular Formula

  • C33-H41-N5-O6-S2

Molecular Weight

  • 667.848
 

Classification Codes

  • Anti-HIV Agents
  • Anti-Infective Agents
  • Anti-Retroviral Agents
  • Antiretroviral
  • Antiviral Agents
  • Enzyme Inhibitors
  • HIV Protease Inhibitors
  • Protease Inhibitor
  • Protease Inhibitors
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Names and Synonyms

Name of Substance

  • Kynostatin 272

Synonyms

  • CCRIS 7458
  • DRG-0219
  • KNI-272
  • NSC 651714
  • UNII-MUL0OE3YBF

Systematic Names

  • 4-Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-(2-hydroxy-3-((2-(((5-isoquinolinyloxy)acetyl)amino)-3-(methylthio)-1-oxopropyl)amino)-1-oxo-4-phenylbutyl)-, (4R-(3(2S*,3S*(R*)),4R*))-
  • KNI-272

Registry Numbers

CAS Registry Number

  • 147318-81-8

FDA UNII

  • MUL0OE3YBF

System Generated Number

  • 0147318818

Structure Descriptors

InChI

1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1

InChIKey

NJBBLOIWMSYVCQ-VZTVMPNDSA-N

Smiles

c12c(cccc1cncc2)OCC(N[C@H](C(N[C@H]([C@@H](C(N1[C@@H](CSC1)C(NC(C)(C)C)=O)=O)O)Cc1ccccc1)=O)CSC)=O