Isotrityrosine
2-amino-3-[3-[5-(2-amino-2-carboxyethyl)-2-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid
Also Known As: Isotrityrosine|2-amino-3-[3-[5-(2-amino-2-carboxyethyl)-2-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid|(1,1'-Biphenyl)-3,3'-dipropanoic acid, alpha,alpha'-diamino-6-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy)-6'-hydroxy-|2-amino-3-[3-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid|2-amino-3-[4-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenoxy]-3-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenyl]phenyl]propanoic acid
| Molecular Formula | C27H29N3O9 |
|---|---|
| Molecular Weight | 539.19037 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 539.19037 |
| Monoisotopic Mass | 539.19037 |
| Heavy Atoms | 39 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 77533-78-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(C(=O)O)N)C2=C(C=CC(=C2)CC(C(=O)O)N)OC3=C(C=CC(=C3)CC(C(=O)O)N)O)O |
| InChIKey | RSHIWRXCRSATFW-UHFFFAOYSA-N |
Product Overview
Isotrityrosine (CAS 77533-78-9), with molecular formula C27H29N3O9 and molecular weight 539.19037 g/mol. IUPAC: 2-amino-3-[3-[5-(2-amino-2-carboxyethyl)-2-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid.