| CAS Number | 184591-51-3 |
| Catalog Number | AG00BARZ(AGN-PC-0O5AZH) |
| Chemical Name | O-(2-Nitrobenzyl)-L-tyrosine |
| IUPAC Name | (2S)-2-amino-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid |
| InChI | InChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1 |
| InChI Key | NLFOHNAFILVHGM-AWEZNQCLSA-N |
| MDL Number | MFCD16660929 |
| Molecular Formula | C16H16N2O5 |
| Molecular Weight | 316.3086 |
| SMILES | N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2[N+]([O-])=O)C(O)=O |
| Synonyms | O-(2-Nitrobenzyl)-L-tyrosine,
184591-51-3,
O-(2-Nitrobenzyl)tyrosine,
O-[(2-Nitrophenyl)methyl]-L-tyrosine Hydrochloride,
SCHEMBL595260,
CTK0E2463,
ZINC50888574,
L-Tyrosine, O-[(2-nitrophenyl)methyl]-,
AJ-111623,
DB-065485,
FT-0770458,
CID11989621,
O-(2-NITROBENZYL)-L-TYROSINE HYDROCHLORIDE,
(2S)-2-amino-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic Acid,
207727-86-4,
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| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.313g/mol |
| Monoisotopic Mass | 316.106g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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