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20818-21-7 | L-Tyrosine, N-acetyl-3,5-dichloro-
CAS No: 20818-21-7 Catalog No: AG002JJZ MDL No:
Product Description
Catalog Number:
AG002JJZ
Chemical Name:
L-Tyrosine, N-acetyl-3,5-dichloro-
CAS Number:
20818-21-7
Molecular Formula:
C11H11Cl2NO4
Molecular Weight:
292.1153
IUPAC Name:
(2S)-2-acetamido-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C11H11Cl2NO4/c1-5(15)14-9(11(17)18)4-6-2-7(12)10(16)8(13)3-6/h2-3,9,16H,4H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1
InChI Key:
JXTXIPSILLOFNY-VIFPVBQESA-N
SMILES:
OC(=O)[C@H](Cc1cc(Cl)c(c(c1)Cl)O)NC(=O)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.112g/mol
Monoisotopic Mass:
291.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Quantification of Modified Tyrosines in Healthy and Diabetic Human Urine using Liquid Chromatography/Tandem Mass Spectrometry. | Journal of clinical biochemistry and nutrition 20090101 |
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