vaniprevir (Q7914945)

Vaniprevir (English)

8 September 2016

C₃₈H₅₅N₅O₉S

1 reference

Vaniprevir (English)

8 September 2016

CCC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC4CN3C(=O)C(NC(=O)OCC(CCCCC5=C6CN(CC6=CC=C5)C(=O)O4)(C)C)C(C)(C)C

1 reference

Vaniprevir (English)

8 September 2016

CC[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(CCCCC5=C6CN(CC6=CC=C5)C(=O)O4)(C)C)C(C)(C)C

1 reference

InChI=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

Vaniprevir (English)

8 September 2016

Vaniprevir

0 references

Identifiers

InChI

1 reference

Vaniprevir (English)

8 September 2016

2 references

Discovery of vaniprevir (MK-7009), a macrocyclic hepatitis C virus NS3/4a protease inhibitor

Vaniprevir (English)

8 September 2016

KYLWQAGGDVJPKM-ZBVFNZHQSA-N

reason for deprecated rank

cannot be confirmed by other sources

1 reference

ChEBI release 2020-09-01

CAS Registry Number

923590-37-8

1 reference

https://commonchemistry.cas.org/detail?cas_rn=923590-37-8

10 April 2021

ChemSpider ID

24651717

1 reference

imported from Wikimedia project

2 references

English

title

Vaniprevir (English)

retrieved

8 September 2016

ChEBI ID

136047

mapping relation type

exact match

3 references

ChEBI release 2019-10-02

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=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

ChEMBL ID

CHEMBL599872

1 reference

imported from Wikimedia project

1 reference

1 reference

EC number

682-506-7

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.207.830

retrieved

27 December 2018

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 923590-37-8 (English)

ECHA Substance Infocard ID

100.207.830

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.207.830

retrieved

27 December 2018

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 923590-37-8 (English)

DrugBank ID

DB11929

1 reference

UNII

CV3X74AO1H

1 reference