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Substance Name: Thieno(3,2-c)pyridine-6-carboxamide, 5-(3-((2-(acetylamino)-1-oxo-3-(8-quinolinylsulfonyl)propyl)amino)-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)octahydro-, (3aR-(3aalpha,5(2R*,3S*(S*)),6beta,7aalpha))-
RN: 169168-47-2
InChIKey: CBVONKNRKVRZIS-HLCMLFPZSA-N

Molecular Formula

  • C36-H47-N5-O6-S2

Molecular Weight

  • 709.9283
 
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Names and Synonyms

  • Thieno(3,2-c)pyridine-6-carboxamide, 5-(3-((2-(acetylamino)-1-oxo-3-(8-quinolinylsulfonyl)propyl)amino)-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)octahydro-, (3aR-(3aalpha,5(2R*,3S*(S*)),6beta,7aalpha))-

Registry Numbers

CAS Registry Number

  • 169168-47-2

System Generated Number

  • 0169168472

Structure Descriptors

InChI

1S/C36H47N5O6S2/c1-23(42)38-28(22-49(46,47)32-14-8-12-25-13-9-16-37-33(25)32)34(44)39-27(18-24-10-6-5-7-11-24)30(43)21-41-20-26-15-17-48-31(26)19-29(41)35(45)40-36(2,3)4/h5-14,16,26-31,43H,15,17-22H2,1-4H3,(H,38,42)(H,39,44)(H,40,45)/t26-,27+,28-,29+,30-,31+/m1/s1

InChIKey

CBVONKNRKVRZIS-HLCMLFPZSA-N

Smiles

CC(=O)N[C@H](CS(=O)(=O)c1cccc2c1nccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN4C[C@H]5CCS[C@H]5C[C@H]4C(=O)NC(C)(C)C)O