| CAS Number | 52551-07-2 |
| Catalog Number | AG00DJKD(AGN-PC-0SD0D2) |
| Chemical Name | H-Tyr-pNA |
| IUPAC Name | (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide |
| InChI | InChI=1S/C15H15N3O4/c16-14(9-10-1-7-13(19)8-2-10)15(20)17-11-3-5-12(6-4-11)18(21)22/h1-8,14,19H,9,16H2,(H,17,20)/t14-/m0/s1 |
| InChI Key | TVHHNERSENUVQJ-AWEZNQCLSA-N |
| MDL Number | MFCD00155550 |
| Molecular Formula | C15H15N3O4 |
| Molecular Weight | 301.2973 |
| SMILES | C1=CC(=CC=C1C[C@@H](C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N)O |
| Synonyms | H-TYR-PNA,
52551-07-2,
L-Tyrosine 4-nitroanilide,
7255AH,
MFCD00155550,
ZINC79442779,
K-9582,
C15H15N3O4,
N-(4-Nitrophenyl)-L-tyrosinamide,
L-Tyrosine 4-nitroanilide; L-Tyrosine p-nitroanilide; Tyrosine-p-nitroanilide,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.302g/mol |
| Monoisotopic Mass | 301.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number