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Antiulcer Agent 2

CAT: 0804-HY-P4290Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-P4290Size:1 Each
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Description
Antiulcer Agent 2 is a tetrapeptide containing aspartic acid, alanine, histidine, and lysine. Antiulcer Agent 2 is present at the N-terminal of human albumin. Antiulcer Agent 2 has potential applications in ulcers and active oxygen generation[1][2].
CAS Number
111543-77-2
UNSPSC
12352209
Target
Endogenous Metabolite
Type
Peptides
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/antiulcer-agent-2.html
Solubility
10 mM in DMSO
Smiles
NCCCC[C@@H](C(O)=O)NC([C@@H](NC([C@H](C)NC([C@@H](N)CC(O)=O)=O)=O)CC1=CN=CN1)=O
Molecular Formula
C19H31N7O7
Molecular Weight
469.49
References & Citations
[1]Hagiwara D, et al. Novel peptide. Japan. JP62116565.|[2]Bar-Or D, et al. An analog of the human albumin N-terminus (Asp-Ala-His-Lys) prevents formation of copper-induced reactive oxygen species. Biochem Biophys Res Commun. 2001 Jun 15;284 (3) :856-62.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-Asp-ala-his-lys-OH
CAS Number111543-77-2
PubChem CID9804719
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
Molecular FormulaC19H31N7O7
Molecular Weight469.5
XLogP-7.4
Topological Polar Surface Area243
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count33
Formal Charge0
Complexity706
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C19H31N7O7/c1-10(24-17(30)12(21)7-15(27)28)16(29)26-14(6-11-8-22-9-23-11)18(31)25-13(19(32)33)4-2-3-5-20/h8-10,12-14H,2-7,20-21H2,1H3,(H,22,23)(H,24,30)(H,25,31)(H,26,29)(H,27,28)(H,32,33)/t10-,12-,13-,14-/m0/s1
InChIKey
LNDPHUOSLCCHHY-PYJNHQTQSA-N
Chemical Structure
2D Structure
2D structure of H-Asp-ala-his-lys-OH
CAS: 111543-77-2
CID: 9804719
Formula: C19H31N7O7
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP3-7.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass469.22849635
Monoisotopic Mass469.22849635
Topological Polar Surface Area243 Ų
Heavy Atom Count33
Formal Charge0
Complexity706
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

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