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Substance Name: Thieno(3,2-c)pyridine-6-carboxamide, 5-(3-((2-(acetylamino)-3-((4-fluorophenyl)sulfonyl)-1-oxopropyl)amino)-2-hydroxy-4-(phenylthio)butyl)-N-(1,1-dimethylethyl)octahydro-, (3aR-(3aalpha,5(2R*,3R*(S*)),6beta,7aalpha))-
RN: 169168-44-9
InChIKey: KEAKEWINSNWPIW-UDQVHHHJSA-N

Molecular Formula

  • C33-H45-F-N4-O6-S3

Molecular Weight

  • 708.9365
 
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Names and Synonyms

  • Thieno(3,2-c)pyridine-6-carboxamide, 5-(3-((2-(acetylamino)-3-((4-fluorophenyl)sulfonyl)-1-oxopropyl)amino)-2-hydroxy-4-(phenylthio)butyl)-N-(1,1-dimethylethyl)octahydro-, (3aR-(3aalpha,5(2R*,3R*(S*)),6beta,7aalpha))-

Registry Numbers

CAS Registry Number

  • 169168-44-9

System Generated Number

  • 0169168449

Structure Descriptors

InChI

1S/C33H45FN4O6S3/c1-21(39)35-27(20-47(43,44)25-12-10-23(34)11-13-25)31(41)36-26(19-46-24-8-6-5-7-9-24)29(40)18-38-17-22-14-15-45-30(22)16-28(38)32(42)37-33(2,3)4/h5-13,22,26-30,40H,14-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t22-,26+,27-,28+,29-,30+/m1/s1

InChIKey

KEAKEWINSNWPIW-UDQVHHHJSA-N

Smiles

CC(=O)N[C@H](CS(=O)(=O)c1ccc(cc1)F)C(=O)N[C@@H](CSc2ccccc2)[C@@H](CN3C[C@H]4CCS[C@H]4C[C@H]3C(=O)NC(C)(C)C)O