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Substance Name: Faldaprevir [USAN:INN]
RN: 801283-95-4
UNII: 958X4J301A
InChIKey: LLGDPTDZOVKFDU-XUHJSTDZSA-N

Note

  • Inhibits hepatitis C virus NS3 protease.

Molecular Formula

  • C40-H49-Br-N6-O9-S

Molecular Weight

  • 869.8301
 
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Names and Synonyms

Name of Substance

  • Faldaprevir [USAN:INN]
  • N-((Cyclopentyloxy)carbonyl)-3-methylvalyl-4-((8-bromo-7-methoxy-2-(2-((2-methylpropanoyl)amino)-1,3-thiazol-4-yl)quinolin-4-yl)oxy)-N-(1-carboxy-2-ethenylcyclopropyl)prolinamide

Synonyms

  • BI 201335
  • BI-201335
  • BI201335
  • Faldaprevir
  • N-((Cyclopentyloxy)carbonyl)-3-methylvalyl-4-((8-bromo-7-methoxy-2-(2-((2-methylpropanoyl)amino)-1,3-thiazol-4-yl)quinolin-4-yl)oxy)-N-(1-carboxy-2-ethenylcyclopropyl)prolinamide
  • UNII-958X4J301A

Systematic Name

  • Cyclopropanecarboxylic acid, N-((cyclopentyloxy)carbonyl)-3-methyl-L-valyl- (4R)-4-((8-bromo-7-methoxy-2-(2-((2-methyl-1-oxopropyl)amino)-4-thiazolyl)-4-quinolinyl)oxy)-L-prolyl-1-amino-2-ethenyl-, (1R,2S)-

Registry Numbers

CAS Registry Number

  • 801283-95-4

FDA UNII

  • 958X4J301A

Other Registry Number

  • 1214735-15-5

System Generated Number

  • 0801283954

Structure Descriptors

InChI

1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1

InChIKey

LLGDPTDZOVKFDU-XUHJSTDZSA-N

Smiles

COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)O)cc(nc2c1Br)c6csc(NC(=O)C(C)C)n6