Nitrotyrosine ethyl ester
ethyl (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
Also Known As: Nitrotyrosine ethyl ester|Ethyl 3-nitrotyrosinate|Ethyl 3-nitro-L-tyrosinate|m-nitrotyrosine ethyl ester|3-nitro-l-tyrosine ethyl ester|L-tyrosine, 3-nitro-ethyl ester|L-Tyrosine, 3-nitro-, ethyl ester|ethyl (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate|(S)-ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propa|Ethyl (S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09027 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.09027 |
| Monoisotopic Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 53497-45-3 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])N |
| InChIKey | VDFGKWYGLJURQQ-QMMMGPOBSA-N |
Product Overview
Nitrotyrosine ethyl ester (CAS 53497-45-3), with molecular formula C11H14N2O5 and molecular weight 254.09027 g/mol. IUPAC: ethyl (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate.
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