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Substance Name: Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester
RN: 128923-36-4
InChIKey: AQGRRBUUEPSSGI-KMQNXVAFSA-N

Note

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

Molecular Formula

  • C30-H50-N3-O8-P

Molecular Weight

  • 611.712
 
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Names and Synonyms

Name of Substance

  • Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester

Synonyms

  • (R-(R*,S*))-N-(3-Methyl-1-oxobutyl)-L-valyl-N-(1-(hydroxy(2-methoxy-2-oxo-1-(phenylmethyl)ethoxy)phosphinyl)-3-methylbutyl)-L-valinamide
  • Iva-val-val-leu(P)-(O)phe-ome
  • Ivavvl(P)(O)fome

Systematic Name

  • L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-(1-(hydroxy(2-methoxy-2-oxo-1-(phenylmethyl)ethoxy)phosphinyl)-3-methylbutyl)-, (R-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 128923-36-4

System Generated Number

  • 0128923364

Structure Descriptors

InChI

1S/C30H50N3O8P/c1-18(2)15-24(34)31-26(20(5)6)28(35)33-29(36)27(21(7)8)32-25(16-19(3)4)42(38,39)41-23(30(37)40-9)17-22-13-11-10-12-14-22/h10-14,18-21,23,25-27,32H,15-17H2,1-9H3,(H,31,34)(H,38,39)(H,33,35,36)/t23-,25+,26-,27-/m0/s1

InChIKey

AQGRRBUUEPSSGI-KMQNXVAFSA-N

Smiles

C([C@@H](N[C@@H](CC(C)C)[P@@](=O)(O[C@H](C(=O)OC)Cc1ccccc1)O)C(C)C)(=O)NC([C@@H](NC(CC(C)C)=O)C(C)C)=O