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17355-11-2

17355-11-2 | L-Phenylalanine, L-tyrosyl-

CAS No: 17355-11-2 Catalog No: AG001Z13 MDL No:

Product Description

Catalog Number:
AG001Z13
Chemical Name:
L-Phenylalanine, L-tyrosyl-
CAS Number:
17355-11-2
Molecular Formula:
C18H20N2O4
Molecular Weight:
328.3624
IUPAC Name:
(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C18H20N2O4/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)/t15-,16-/m0/s1
InChI Key:
CGWAPUBOXJWXMS-HOTGVXAUSA-N
SMILES:
O=C([C@H](Cc1ccc(cc1)O)N)N[C@H](C(=O)O)Cc1ccccc1

Properties

Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
328.142g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
328.368g/mol
Monoisotopic Mass:
328.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  

Literature

Title Journal
Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorganic & medicinal chemistry 20110801
The effect of neighboring methionine residue on tyrosine nitration and oxidation in peptides treated with MPO, H2O2, and NO2(-) or peroxynitrite and bicarbonate: role of intramolecular electron transfer mechanism? Archives of biochemistry and biophysics 20090415
Identification of some novel AHAS inhibitors via molecular docking and virtual screening approach. Bioorganic & medicinal chemistry 20070101
Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as substrates of the mammalian H+/peptide cotransporter PEPT1. Journal of medicinal chemistry 20050630

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