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Substance Name: 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((2-((methylsulfonyl)amino)-3-(2-naphthalenylsulfinyl)-1-oxopropyl)amino)-4-phenylbutyl)-, (3S-(2(2S*,3R*(1R*)),3alpha,4abeta,8abeta))-
RN: 159878-30-5
InChIKey: HSGWMHCBWWNMPP-SRYSGFPJSA-N

Molecular Formula

  • C38-H52-N4-O6-S2

Molecular Weight

  • 724.9828
 
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Names and Synonyms

Synonym

  • TYA5

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 159878-30-5

System Generated Number

  • 0159878305

Structure Descriptors

InChI

1S/C38H52N4O6S2/c1-38(2,3)40-37(45)34-22-29-16-10-11-17-30(29)23-42(34)24-35(43)32(20-26-12-6-5-7-13-26)39-36(44)33(41-50(4,47)48)25-49(46)31-19-18-27-14-8-9-15-28(27)21-31/h5-9,12-15,18-19,21,29-30,32-35,41,43H,10-11,16-17,20,22-25H2,1-4H3,(H,39,44)(H,40,45)/t29-,30+,32-,33+,34-,35+,49?/m0/s1

InChIKey

HSGWMHCBWWNMPP-SRYSGFPJSA-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](CS(=O)c4ccc5ccccc5c4)NS(=O)(=O)C)O