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Substance Name: Abbott 77003
RN: 134878-17-4
UNII: BER06U740R
InChIKey: QPVWMQXBTCSLCB-BYAJYZPISA-N

Note

  • A symmetry-based inhibitor of HIV-1 protease.

Molecular Formula

  • C44-H58-N8-O6

Molecular Weight

  • 794.992
 

Classification Codes

  • Anti-HIV Agents
  • Anti-Infective Agents
  • Anti-Retroviral Agents
  • Antiviral Agents
  • Enzyme Inhibitors
  • HIV Protease Inhibitors
  • Protease Inhibitors
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Names and Synonyms

Name of Substance

  • Abbott 77003

Synonyms

  • A 77003
  • A-77003
  • A77003
  • Abbott A77003
  • Abt 77003
  • UNII-BER06U740R

Systematic Names

  • L-Altritol, 1,2,5,6-tetradeoxy-2,5-bis(((2S)-3-methyl-2-(((methyl(2-pyrimidinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-
  • L-Altritol, 1,2,5,6-tetradeoxy-2,5-bis((3-methyl-2-(((methyl(2-pyrimidinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-, (2(S),5(S))-

Registry Numbers

CAS Registry Number

  • 134878-17-4

FDA UNII

  • BER06U740R

System Generated Number

  • 0134878174

Structure Descriptors

InChI

1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40+/m0/s1

InChIKey

QPVWMQXBTCSLCB-BYAJYZPISA-N

Smiles

c1cc(CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@H]([C@H]([C@@H](NC([C@@H](NC(N(Cc2ccccn2)C)=O)C(C)C)=O)Cc2ccccc2)O)O)Cc2ccccc2)ncc1