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Substance Name: 2,5,10,13-Tetraazatetradecanediamide, 7,7-difluoro-N,N'-dimethyl-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-N,N'-bis(2-pyridinylmethyl)-, (3S,6S,9S,12S)-
RN: 144162-29-8
InChIKey: JTDUYNAHHZIVPJ-ZQWQDMLBSA-N

Note

  • Inhibits HIV-1 protease.

Molecular Formula

  • C44-H54-F2-N8-O5

Molecular Weight

  • 812.9576
 
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Names and Synonyms

Synonyms

  • 2,5,10,13-Tetraazatetradecanediamide, 7,7-difluoro-N,N'-dimethyl-3,11-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-N,N'-bis(2-pyridinylmethyl)-, (3S-(3R,6R,9R,12R))-
  • A 79285

Systematic Name

  • 2,5,10,13-Tetraazatetradecanediamide, 7,7-difluoro-N,N'-dimethyl-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-N,N'-bis(2-pyridinylmethyl)-, (3S,6S,9S,12S)-

Registry Numbers

CAS Registry Number

  • 144162-29-8

System Generated Number

  • 0144162298

Structure Descriptors

InChI

1S/C44H54F2N8O5/c1-29(2)37(51-42(58)53(5)27-33-21-13-15-23-47-33)40(56)49-35(25-31-17-9-7-10-18-31)39(55)44(45,46)36(26-32-19-11-8-12-20-32)50-41(57)38(30(3)4)52-43(59)54(6)28-34-22-14-16-24-48-34/h7-24,29-30,35-38H,25-28H2,1-6H3,(H,49,56)(H,50,57)(H,51,58)(H,52,59)/t35-,36-,37-,38-/m0/s1

InChIKey

JTDUYNAHHZIVPJ-ZQWQDMLBSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)(F)F)NC(=O)N(C)Cc4ccccn4