SU3

(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide


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Chemical Component Summary

Name(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
Synonymsvaniprevir; MK-7009
Identifiersn/a
FormulaC38 H55 N5 O9 S
Molecular Weight757.936
TypeNON-POLYMER
Isomeric SMILESCC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C
InChIInChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1
InChIKeyKUQWGLQLLVFLSM-ONAXAZCASA-N

Chemical Details

Formal Charge0
Atom Count108
Chiral Atom Count7
Bond Count113
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB11929 
NameVaniprevir
Groups investigational
DescriptionVaniprevir has been used in trials studying the treatment and diagnostic of Hepatitis C, Chronic Hepatitis C, Hepatitis C, Chronic, Chronic Hepatitis C Infection, and Chronic Genotype 1 Hepatitis C Virus Infection.
Synonyms
  • Vaniprevir
  • Vaniprévir
  • Vaniprevir potassium
  • Vaniprevirum
Categories
  • Amides
  • Amino Acids
  • Amino Acids, Branched-Chain
  • Amino Acids, Cyclic
  • Amino Acids, Essential
CAS number923590-37-8

Related Resource References

Resource NameReference
PubChem 24765256