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Substance Name: Isovaleryl-valyl-valyl-statine phosphinate ethyl ester
RN: 128901-52-0
InChIKey: GMYHFKHRKYCTKS-HJNYFJLDSA-N

Note

  • Inhibitor of aspartyl proteinases designed to be structural mimic of the tetrahedral transition-state intermediate encountered during aspartic proteinase catalysis.

Molecular Formula

  • C24-H46-N3-O7-P

Molecular Weight

  • 519.615
 
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Names and Synonyms

Name of Substance

  • Isovaleryl-valyl-valyl-statine phosphinate ethyl ester

Synonyms

  • (R)-N-(3-Methyl-1-oxobutyl)-L-valyl-N-(1-((2-ethoxy-2-oxoethyl)hydroxyphosphinyl)-3-methylbutyl)-L-valinamide
  • Iva-val-val-sta(P)oet
  • Ivavvsta(P)oet

Systematic Name

  • L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-(1-((2-ethoxy-2-oxoethyl)hydroxyphosphinyl)-3-methylbutyl)-, (R)-

Registry Numbers

CAS Registry Number

  • 128901-52-0

System Generated Number

  • 0128901520

Structure Descriptors

InChI

1S/C24H46N3O7P/c1-10-34-20(29)13-35(32,33)19(12-15(4)5)26-22(17(8)9)24(31)27-23(30)21(16(6)7)25-18(28)11-14(2)3/h14-17,19,21-22,26H,10-13H2,1-9H3,(H,25,28)(H,32,33)(H,27,30,31)/t19-,21+,22+/m1/s1

InChIKey

GMYHFKHRKYCTKS-HJNYFJLDSA-N

Smiles

C([C@@H](N[C@@H](CC(C)C)[P@@](=O)(O)CC(=O)OCC)C(C)C)(=O)NC([C@@H](NC(CC(C)C)=O)C(C)C)=O