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Ac-LEHD-pNA

CAT: 0804-HY-P5348-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P5348-01Size:5 mg
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Description
Ac-LEHD-pNA is a biological active peptide. (Caspase-9 substrate; pNA (4-nitroaniline) -derived caspase substrates are widely used for the colorimetric detection of various caspase activities. Cleavage of pNA peptides by caspases generates pNA that is monitored colorimetrically at ~405 nm. pNA has maximum absorption around 408 nm.)
CAS Number
921771-40-6
UNSPSC
12352209
Target
Caspase
Type
Peptides
Related Pathways
Apoptosis
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ac-lehd-pna.html
Purity
99.57
Solubility
10 mM in DMSO
Smiles
O=C([C@@H](NC(C)=O)CC(C)C)N[C@H](C(N[C@H](C(N[C@H](C(NC1=CC=C(C=C1)[N+]([O-])=O)=O)CC(O)=O)=O)CC2=CNC=N2)=O)CCC(O)=O
Molecular Formula
C29H38N8O11
Molecular Weight
674.66
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Ac-LEHD-PNA
CAS Number921771-40-6
PubChem CID25108788
IUPAC Name(4S)-4-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC29H38N8O11
Molecular Weight674.7
XLogP-0.4
Topological Polar Surface Area295
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count18
Heavy Atom Count48
Formal Charge0
Complexity1190
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C29H38N8O11/c1-15(2)10-21(32-16(3)38)28(45)34-20(8-9-24(39)40)26(43)35-22(11-18-13-30-14-31-18)29(46)36-23(12-25(41)42)27(44)33-17-4-6-19(7-5-17)37(47)48/h4-7,13-15,20-23H,8-12H2,1-3H3,(H,30,31)(H,32,38)(H,33,44)(H,34,45)(H,35,43)(H,36,46)(H,39,40)(H,41,42)/t20-,21-,22-,23-/m0/s1
InChIKey
SHOGFKLEAOHMOJ-MLCQCVOFSA-N
Chemical Structure
2D Structure
2D structure of Ac-LEHD-PNA
CAS: 921771-40-6
CID: 25108788
Formula: C29H38N8O11
MW: 674.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight674.7
XLogP3-0.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count18
Exact Mass674.26600406
Monoisotopic Mass674.26600406
Topological Polar Surface Area295 Ų
Heavy Atom Count48
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes