Ac-EEVVAC-pNA

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Description

Ac-EEVVAC-pNA is a chromogenic substrate for a continuous spectrophotometric assay of HCV NS3 protease. The sequence EEVVAC is derived from the 5A-5B cleavage junction of the HCV polyprotein[1].

CAS Number

389868-12-6

UNSPSC

12171500

Target

HCV Protease

Type

Dye Reagents

Related Pathways

Anti-infection; Metabolic Enzyme/Protease

Applications

COVID-19-anti-virus

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/ac-eevvac-pna.html

Solubility

H2O

Smiles

OC(CC[C@H](NC(C)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](C)C(N[C@@H](CS)C(NC1=CC=C(C=C1)[N+]([O-])=O)=O)=O)=O)=O)=O)=O)=O

Molecular Formula

C34H50N8O13S

Molecular Weight

810.87

References & Citations

[1]Ede NJ, et al. Solid phase synthesis of peptide aldehyde protease inhibitors. Probing the proteolytic sites of hepatitis C virus polyprotein. J Pept Sci. 2000 Jan;6 (1) :11-8.

Shipping Conditions

Room temperature

Scientific Category

Dye Reagents

Clinical Information

No Development Reported

Chemical Information

Ac-Glu-Glu-Val-Val-Ala-Cys-pNA

CAS Number	389868-12-6
PubChem CID	125183001
IUPAC Name	(4S)-4-acetamido-5-[[(2S)-4-carboxy-1-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[[(2S)-1-[[(2R)-1-(4-nitroanilino)-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular Formula	C34H50N8O13S
Molecular Weight	810.9
XLogP	0.2
Topological Polar Surface Area	325
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	22
Heavy Atom Count	56
Formal Charge	0
Complexity	1450

SMILES

C[C@@H](C(=O)N[C@@H](CS)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C34H50N8O13S/c1-16(2)27(33(52)35-18(5)29(48)39-24(15-56)32(51)37-20-7-9-21(10-8-20)42(54)55)41-34(53)28(17(3)4)40-31(50)23(12-14-26(46)47)38-30(49)22(36-19(6)43)11-13-25(44)45/h7-10,16-18,22-24,27-28,56H,11-15H2,1-6H3,(H,35,52)(H,36,43)(H,37,51)(H,38,49)(H,39,48)(H,40,50)(H,41,53)(H,44,45)(H,46,47)/t18-,22-,23-,24-,27-,28-/m0/s1

InChIKey

CXUUUZFVYSBDCT-YNTMFAKQSA-N

Chemical Structure

2D Structure

CAS: 389868-12-6

CID: 125183001

Formula: C34H50N8O13S

MW: 810.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	810.9
XLogP3	0.2
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	22
Exact Mass	810.32180485
Monoisotopic Mass	810.32180485
Topological Polar Surface Area	325 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1450
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-P10084	Ac-VAD-pNA
HY-P10236	Ac-WEHD-pNA
HY-P10666	Ac-VDQQD-pNA
HY-P11392	Ac-IEAR-pNA
HY-P2091-01	Ac-YVAD-pNA
HY-P10668	Ac-EVKKQR-pNA

Alternative Products

Catalog	Name
T76525-01	Ac-EEVVAC-pNA
CCP1024-01	Ac-GPK (Ac) -pNA
MBS826326-01	Ac-GPK(Ac)-pNA
A8755-5	Ac-YVAD-pNA
A8758-25	Ac-LEVD-pNA
A8754-5	Ac-LEHD-pNA
A8749-5	Ac-VEID-pNA
4014152.1000	Ac-Ala-pNA
4005572.0050	Ac-Glu-pNA
4004444.0250	Ac-Lys-pNA

Ac-EEVVAC-pNA

Chemical Information

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