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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > carbamate ester > grazoprevir
organooxygen compound > carbonyl compound > carboxylic ester > carbamate ester > grazoprevir
organic aromatic compound > aromatic ether > grazoprevir
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > grazoprevir
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > naphthyridine derivative > quinoxaline derivative > grazoprevir
organic heterocyclic compound > organonitrogen heterocyclic compound > naphthyridine derivative > quinoxaline derivative > grazoprevir
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > naphthyridine derivative > quinoxaline derivative > grazoprevir
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > grazoprevir
organooxygen compound > carboxamide > lactam > grazoprevir
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > grazoprevir
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > grazoprevir
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > grazoprevir
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > secondary amide > imide > mixed diacylamine > n-sulfonylcarboxamide > grazoprevir

Preferred term

grazoprevir  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C38H50N6O9S

has_role

inchi

  • InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1

inchikey

  • OBMNJSNZOWALQB-NCQNOWPTSA-N

mass

  • 766.906

monoisotopicmass

  • 766.33600

smiles

  • [C@@]1(C(NS(C2CC2)(=O)=O)=O)(C[C@H]1C=C)NC(=O)[C@H]3N4C[C@@H](C3)OC5=C(CCCCC[C@H]6[C@@H](C6)OC(N[C@H](C4=O)C(C)(C)C)=O)N=C7C(=N5)C=C(C=C7)OC

subset

  • 3_STAR

synonym EXACT

  • (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide

synonym RELATED

  • grazoprevir
  • MK 5172

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:132975

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