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Substance Name: 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)-2-(3-((3-((4-fluorophenyl)thio)-2-((methylsulfonyl)amino)-1-oxopropyl)amino)-2-hydroxy-4-phenylbutyl)decahydro-, (3S-(2(2S*,3R*(R*)),3alpha,4abeta,8abeta))-
RN: 159878-26-9
InChIKey: SLKMGYJMZOWGPU-NUHKNMDZSA-N

Molecular Formula

  • C34-H49-F-N4-O5-S2

Molecular Weight

  • 676.9141
 
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Names and Synonyms

  • 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)-2-(3-((3-((4-fluorophenyl)thio)-2-((methylsulfonyl)amino)-1-oxopropyl)amino)-2-hydroxy-4-phenylbutyl)decahydro-, (3S-(2(2S*,3R*(R*)),3alpha,4abeta,8abeta))-

Registry Numbers

CAS Registry Number

  • 159878-26-9

System Generated Number

  • 0159878269

Structure Descriptors

InChI

1S/C34H49FN4O5S2/c1-34(2,3)37-33(42)30-19-24-12-8-9-13-25(24)20-39(30)21-31(40)28(18-23-10-6-5-7-11-23)36-32(41)29(38-46(4,43)44)22-45-27-16-14-26(35)15-17-27/h5-7,10-11,14-17,24-25,28-31,38,40H,8-9,12-13,18-22H2,1-4H3,(H,36,41)(H,37,42)/t24-,25+,28-,29+,30-,31+/m0/s1

InChIKey

SLKMGYJMZOWGPU-NUHKNMDZSA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@@H](CSc4ccc(cc4)F)NS(=O)(=O)C)O