asunaprevir (Q4811881)

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chemical compound

Asunaprevir

Language	Label	Description	Also known as
English	asunaprevir	chemical compound	Asunaprevir

Statements

type of chemical entity

0 references

heterocyclic compound

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carbocyclic compound

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chemical structure

Asunaprevir.svg
512 × 463; 13 KB

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747.27 dalton

1 reference

language of work or name

Asunaprevir (English)

19 October 2016

chemical formula

C₃₅H₄₆ClN₅O₉S

1 reference

language of work or name

Asunaprevir (English)

18 November 2016

canonical SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C

1 reference

language of work or name

Asunaprevir (English)

18 November 2016

isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C

1 reference

language of work or name

Asunaprevir (English)

18 November 2016

subject has role

protease inhibitor

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

CAS COVID-19 Anti-Viral Candidate Compounds

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Identifiers

InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25 ,27-,35-/m1/s1

1 reference

language of work or name

Asunaprevir (English)

18 November 2016

XRWSZZJLZRKHHD-WVWIJVSJSA-N

2 references

language of work or name

Asunaprevir (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

asunaprevir (English)

18 November 2016

XRWSZZJLZRKHHD-WVWIJVSJSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=630420-16-5

1 reference

language of work or name

Asunaprevir (English)

18 November 2016

2 references

language of work or name

Asunaprevir (English)

18 November 2016

matched by identifier from

XRWSZZJLZRKHHD-WVWIJVSJSA-N

mapping relation type

2 references

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25 ,27-,35-/m1/s1

1 reference

language of work or name

ASUNAPREVIR (English)

18 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XRWSZZJLZRKHHD-WVWIJVSJSA-N

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID201026065

1 reference

matched by identifier from

XRWSZZJLZRKHHD-WVWIJVSJSA-N

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-L-prolinamide (English)

CAS no.: 630420-16-5 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-L-prolinamide (English)

CAS no.: 630420-16-5 (English)

0 references

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

Global Substance Registration System

language of work or name

asunaprevir (English)

18 November 2016

1 reference

matched by identifier from

XRWSZZJLZRKHHD-WVWIJVSJSA-N

2 references

Global Substance Registration System

language of work or name

asunaprevir (English)

18 November 2016

matched by identifier from

XRWSZZJLZRKHHD-WVWIJVSJSA-N

Probes And Drugs ID

0 references

1 reference

1 reference

imported from Wikimedia project

English Wikipedia

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Microsoft Academic ID

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PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4WH6 (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4NWL (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4WF8 (English)

19 October 2016

Sitelinks

Wikipedia(9 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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