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Substance Name: Mdl 104168
RN: 158268-42-9
InChIKey: MVKGTDBRRUDJAK-REWPJTCUSA-N

Note

  • A macrocyclic HIV protease inhibitor.

Molecular Weight

  • 544.552
 
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Names and Synonyms

Name of Substance

  • Mdl 104168

Synonyms

  • alpha,alpha-Difluoro-9-(1-methylethyl)-beta,4,7,10-tetraoxo-N-(phenylmethyl)-2-oxa-5,8,11-tetrabicyclo(12.2.2)octadeca-14,16,17-triene-12-propanamide
  • Mdl 104,168

Systematic Name

  • 2-Oxa-5,8,11-triazabicyclo(12.2.2)octadeca-14,16,17-triene-12-propanamide, alpha,alpha-difluoro-9-(1-methylethyl)-beta,4,7,10-tetraoxo-N-(phenylmethyl)-, (9S-(9R*,12R*))-

Registry Numbers

CAS Registry Number

  • 158268-42-9

System Generated Number

  • 0158268429

Structure Descriptors

InChI

1S/C27H30F2N4O6/c1-16(2)23-25(37)31-20(24(36)27(28,29)26(30)38)12-17-8-10-19(11-9-17)39-15-22(35)33(14-21(34)32-23)13-18-6-4-3-5-7-18/h3-11,16,20,23H,12-15H2,1-2H3,(H2,30,38)(H,31,37)(H,32,34)/t20-,23-/m0/s1

InChIKey

MVKGTDBRRUDJAK-REWPJTCUSA-N

Smiles

c12OCC(N(CC(N[C@H](C(N[C@@H](Cc(cc1)cc2)C(C(C(=O)N)(F)F)=O)=O)C(C)C)=O)Cc1ccccc1)=O