Ac-EVKKQR-pNA

CAT: 0931-T200426-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T200426-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

410532-54-6

Target

Anti-infection

Related Pathways

Microbiology/Virology

Bioactivity

Ac-EVKKQR-pNA is a competitive chromogenic substrate targeting the P6-P1 segment at the NS2B-NS3 cleavage site's N-terminal, featuring a highly reactive, hydrolyzable para-nitroaniline (pNA) at the P1 position. This compound holds promise for research into Dengue virus type 2 and Yellow fever virus infections.

Smiles

N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCC(O)=O)NC(C)=O)=O)[C@H](C)C)=O)CCCCN)=O)CCCCN)=O)CCC(N)=O)=O)CCCNC(=N)N)=O)C1=CC=C(N(=O)=O)C=C1

Molecular Formula

C41H68N14O12

Molecular Weight

949.07

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ac-EVKKQR-pNA

CAS Number	410532-54-6
PubChem CID	172638708
IUPAC Name	(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular Formula	C41H68N14O12
Molecular Weight	949.1
XLogP	-5.3
Topological Polar Surface Area	446
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	32
Heavy Atom Count	67
Formal Charge	0
Complexity	1700

SMILES

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

InChI

InChI=1S/C41H68N14O12/c1-23(2)34(54-39(64)30(48-24(3)56)17-19-33(58)59)40(65)53-28(10-5-7-21-43)37(62)50-27(9-4-6-20-42)36(61)52-31(16-18-32(44)57)38(63)51-29(11-8-22-47-41(45)46)35(60)49-25-12-14-26(15-13-25)55(66)67/h12-15,23,27-31,34H,4-11,16-22,42-43H2,1-3H3,(H2,44,57)(H,48,56)(H,49,60)(H,50,62)(H,51,63)(H,52,61)(H,53,65)(H,54,64)(H,58,59)(H4,45,46,47)/t27-,28-,29-,30-,31-,34-/m0/s1

InChIKey

DBJQNIDWPQMMBX-HWKKFYSMSA-N

Chemical Structure

2D Structure

CAS: 410532-54-6

CID: 172638708

Formula: C41H68N14O12

MW: 949.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	949.1
XLogP3	-5.3
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	32
Exact Mass	948.51411366
Monoisotopic Mass	948.51411366
Topological Polar Surface Area	446 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1700
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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T7816-01	Ac-DEVD-pNA
T74692-01	Ac-Phe-Gly-pNA
T39672	Ac-Ile-Glu-Thr-Asp-pNA
T208706-01	Ac-Asp-Glu-Val-Asp-pNA

Alternative Products

Catalog	Name
HY-P10668	Ac-EVKKQR-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-EVKKQR-pNA

Chemical Information

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