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Substance Name: SK&F 107461
RN: 126380-03-8
InChIKey: QMXGQRYFXBJNBM-KTVGBRJCSA-N

Note

  • A hydroxyethylene dipeptide isostere.

Molecular Formula

  • C37-H53-N5-O9

Molecular Weight

  • 711.8517
 
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Names and Synonyms

Name of Substance

  • SK&F 107461

Synonyms

  • (S-(R*,R*))-N-(N-(4-Hydroxy-1-oxo-6-phenyl-5-((N-(N-((phenylmethoxy)carbonyl)-L-alanyl)-L-alanyl)amino)hexyl)-L-valyl)-L-valine methyl ester
  • Benzyloxycarbonyl-alanyl-alanyl-phenylalanyl-psi(CHOHCH2)-glycyl-valyl-valine methyl ester
  • Cbz-aaphepsi((s)-CH(OH)CH2)glyvv-ome
  • Cbz-ala-ala-phe-psi(CHOHCH2)-gly-val-val-ome
  • SK&F-107461
  • SKF 107461

Systematic Name

  • L-Valine, N-(N-(4-hydroxy-1-oxo-6-phenyl-5-((N-(N-((phenylmethoxy)carbonyl)-L-alanyl)-L-alanyl)amino)hexyl)-L-valyl)-, methyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 126380-03-8

System Generated Number

  • 0126380038

Structure Descriptors

InChI

1S/C37H53N5O9/c1-22(2)31(35(47)42-32(23(3)4)36(48)50-7)41-30(44)19-18-29(43)28(20-26-14-10-8-11-15-26)40-34(46)24(5)38-33(45)25(6)39-37(49)51-21-27-16-12-9-13-17-27/h8-17,22-25,28-29,31-32,43H,18-21H2,1-7H3,(H,38,45)(H,39,49)(H,40,46)(H,41,44)(H,42,47)/t24-,25-,28-,29-,31-,32-/m0/s1

InChIKey

QMXGQRYFXBJNBM-KTVGBRJCSA-N

Smiles

C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)NC(=O)[C@H](C)NC(=O)OCc2ccccc2