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Substance Name: L 689502
RN: 138483-63-3
InChIKey: IYLCQJSWFWQHCD-AIIVFDHXSA-N

Note

  • HIV-1 protease inhibitor.

Molecular Formula

  • C39-H51-N3-O7

Molecular Weight

  • 673.846
 
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Names and Synonyms

Name of Substance

  • L 689502

Synonym

  • L-689,502

Systematic Names

  • Carbamic acid, ((1S,2S,4R)-5-(((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-4-((4-(2-(4-morpholinyl)ethoxy)methyl)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-4-((4-(2-(4-morpholinyl)ethoxy)phenyl)methyl)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1alpha(1R*,2R*,4S*),2alpha))-

Registry Numbers

CAS Registry Number

  • 138483-63-3

System Generated Number

  • 0138483633

Structure Descriptors

InChI

1S/C39H51N3O7/c1-39(2,3)49-38(46)40-33(24-27-9-5-4-6-10-27)34(43)26-30(37(45)41-36-32-12-8-7-11-29(32)25-35(36)44)23-28-13-15-31(16-14-28)48-22-19-42-17-20-47-21-18-42/h4-16,30,33-36,43-44H,17-26H2,1-3H3,(H,40,46)(H,41,45)/t30-,33+,34+,35-,36+/m1/s1

InChIKey

IYLCQJSWFWQHCD-AIIVFDHXSA-N

Smiles

c1ccc2[C@H](NC([C@H](Cc3ccc(cc3)OCCN3CCOCC3)C[C@@H]([C@H](Cc3ccccc3)NC(OC(C)(C)C)=O)O)=O)[C@@H](Cc2c1)O