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Substance Name: Benzyloxycarbonylalanyl-alanyl-leucyl phosphinate-3-phenyllactic acid methyl ester
RN: 128901-55-3
InChIKey: HLJZNCINMYDAOE-WIHVIGOGSA-N

Note

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

Molecular Formula

  • C29-H40-N3-O9-P

Molecular Weight

  • 605.621
 
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Names and Synonyms

Name of Substance

  • Benzyloxycarbonylalanyl-alanyl-leucyl phosphinate-3-phenyllactic acid methyl ester

Synonyms

  • (R-(R*,S*))-N-((Phenylmethoxy)carbonyl)-L-alanyl-N-(1-(hydroxy(2-methoxy-2-oxo-1-(phenylmethyl)ethoxy)phosphinyl)-3-methylbutyl)-L-alaninamide
  • Cbz-ala-ala-leu(P)-(O)-phe-ome
  • Cbzaal(P)(O)fome

Systematic Name

  • L-Alaninamide, N-((phenylmethoxy)carbonyl)-L-alanyl-N-(1-(hydroxy(2-methoxy-2-oxo-1-(phenylmethyl)ethoxy)phosphinyl)-3-methylbutyl)-, (R-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 128901-55-3

System Generated Number

  • 0128901553

Structure Descriptors

InChI

1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)30-20(3)26(33)32-27(34)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25,30H,16-18H2,1-5H3,(H,31,36)(H,37,38)(H,32,33,34)/t20-,21-,24-,25+/m0/s1

InChIKey

HLJZNCINMYDAOE-WIHVIGOGSA-N

Smiles

C([C@@H](N[C@@H](CC(C)C)[P@@](=O)(O[C@H](C(=O)OC)Cc1ccccc1)O)C)(=O)NC([C@@H](NC(=O)OCc1ccccc1)C)=O