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Ac-VDVAD-pNA

CAT: 0804-HY-W713878Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W713878Size:1 Each
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Description
Ac-VDVAD-pNA is a caspase-2 substrate. Ac-VDVAD-pNA can be used to test the activity of caspase-2[1].
CAS Number
189684-53-5
UNSPSC
12352209
Target
Caspase
Type
Peptides
Related Pathways
Apoptosis
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ac-vdvad-pna.html
Solubility
10 mM in DMSO
Smiles
CC(N[C@@H](C(C)C)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(NC1=CC=C(C=C1)[N+]([O-])=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C29H41N7O12
Molecular Weight
679.68
References & Citations
[1]Talanian RV, et, al. Substrate specificities of caspase family proteases. J Biol Chem. 1997 Apr 11;272 (15) :9677-82.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

N-Acetylvalyl-alpha-aspartylvalylalanyl-N-(4-nitrophenyl)-alpha-asparagine
CAS Number189684-53-5
PubChem CID44135308
IUPAC Name3-[2-[[2-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-(4-nitroanilino)-4-oxobutanoic acid
Molecular FormulaC29H41N7O12
Molecular Weight679.7
XLogP-0.1
Topological Polar Surface Area295
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count17
Heavy Atom Count48
Formal Charge0
Complexity1230
SMILES
CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C29H41N7O12/c1-13(2)23(31-16(6)37)29(46)34-20(12-22(40)41)27(44)35-24(14(3)4)28(45)30-15(5)25(42)33-19(11-21(38)39)26(43)32-17-7-9-18(10-8-17)36(47)48/h7-10,13-15,19-20,23-24H,11-12H2,1-6H3,(H,30,45)(H,31,37)(H,32,43)(H,33,42)(H,34,46)(H,35,44)(H,38,39)(H,40,41)
InChIKey
SIOKOOKURWWOID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Acetylvalyl-alpha-aspartylvalylalanyl-N-(4-nitrophenyl)-alpha-asparagine
CAS: 189684-53-5
CID: 44135308
Formula: C29H41N7O12
MW: 679.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight679.7
XLogP3-0.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count17
Exact Mass679.28131977
Monoisotopic Mass679.28131977
Topological Polar Surface Area295 Ų
Heavy Atom Count48
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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