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Substance Name: N-Acetylseryl-leucyl-asparaginyl(phenylalanyl-hydroxyethylamino-prolyl)isoleucyl-valyl methyl ester
RN: 127231-42-9
InChIKey: MJOXWVYKMFPFPL-FPBYMMTFSA-N

Note

  • Inhibitor of HIV Protease.

Molecular Formula

  • C42-H68-N8-O11

Molecular Weight

  • 861.044
 
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Names and Synonyms

Name of Substance

  • N-Acetylseryl-leucyl-asparaginyl(phenylalanyl-hydroxyethylamino-prolyl)isoleucyl-valyl methyl ester

Synonyms

  • Ac-Ser-leu-asn-(phe-hea-pro)-ile-val-ome
  • Alap-hea-piv

Systematic Name

  • L-Valine, N-(N-(1-(3-((N2-(N-(N-acetyl-L-seryl)-L-leucyl)-L-asparaginyl)amino)-2-hydroxy-4-phenylbutyl)-L-prolyl)-L-isoleucyl)-, methyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 127231-42-9

System Generated Number

  • 0127231429

Structure Descriptors

InChI

1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32-,33-,35-,36-/m0/s1

InChIKey

MJOXWVYKMFPFPL-FPBYMMTFSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@H]1[N@@](CCC1)C[C@@H]([C@H](Cc1ccccc1)NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)C)CO)=O)CC(C)C)=O)CC(=O)N)=O)O)=O)[C@H](CC)C)=O)C(C)C)(=O)OC