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L, L-Dityrosine

CAT: 0804-HY-101552A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101552A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
L, L-Dityrosine (o, o'-Dityrosine) is a constituent of acid hydrolysates of a number of biological materials, including the insect cuticular resilin[1].
CAS Number
63442-81-9
Product Name Alternative
O, o'-Dityrosine
UNSPSC
12352005
Hazard Statement
H225, H319
Target
Amino Acid Derivatives
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/l-l-dityrosine.html
Purity
99.80
Solubility
H2O : 5.56 mg/mL (ultrasonic)
Smiles
O=C(O)[C@@H](N)CC1=CC(C2=C(O)C=CC(C[C@H](N)C(O)=O)=C2)=C(O)C=C1
Molecular Formula
C18H20N2O6
Molecular Weight
360.36
Precautions
H225, H319
References & Citations
[1]Kungl AJ, et al. Molecular dynamics simulation of the rare amino acid LL-dityrosine and a dityrosine-containing peptide: comparison with time-resolved fluorescence. Biochim Biophys Acta. 1994 Dec 15;1201 (3) :345-52.|[2]S Pennathur, et al. Mass spectrometric quantification of 3-nitrotyrosine, ortho-tyrosine, and o, o'-dityrosine in brain tissue of 1-methyl-4-phenyl-1,2,3, 6-tetrahydropyridine-treated mice, a model of oxidative stress in Parkinson's disease. J Biol Chem. 1999 Dec 3;274 (49) :34621-8.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3,3'-Dityrosine

LL-dityrosine is a dityrosine. It is an enantiomer of a DD-dityrosine.

CAS Number63442-81-9
PubChem CID14554235
IUPAC Name(2S)-2-amino-3-[3-[5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxyphenyl]-4-hydroxyphenyl]propanoic acid
Molecular FormulaC18H20N2O6
Molecular Weight360.4
XLogP-3.8
Topological Polar Surface Area167
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity458
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)C2=C(C=CC(=C2)C[C@@H](C(=O)O)N)O)O
InChI
InChI=1S/C18H20N2O6/c19-13(17(23)24)7-9-1-3-15(21)11(5-9)12-6-10(2-4-16(12)22)8-14(20)18(25)26/h1-6,13-14,21-22H,7-8,19-20H2,(H,23,24)(H,25,26)/t13-,14-/m0/s1
InChIKey
OQALFHMKVSJFRR-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Dityrosine
CAS: 63442-81-9
CID: 14554235
Formula: C18H20N2O6
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP3-3.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass360.13213636
Monoisotopic Mass360.13213636
Topological Polar Surface Area167 Ų
Heavy Atom Count26
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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