Isodityrosine
(2S)-2-amino-3-[4-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]propanoic acid
Also Known As: Isodityrosine|KST-1A8708|L-Tyrosine, O-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl)-|L-Tyrosine, O-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-|(2S)-2-amino-3-[4-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]propanoic acid|(2s)-2-amino-3-{4-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl}propanoic acid(non-preferred name)|(2S)-2-amino-3-(4-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy)phenyl)propanoic acid|2-Amino-3-(3-{4-[(2S)-2-amino-2-carboxyethyl]phenoxy}-4-hydroxyphenyl)propanoic acid|(2S)-2-amino-3-[4-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenoxy]phenyl]propanoic acid|(2S)-2-AMINO-3-{4-[5-(2-AMINO-2-CARBOXYETHYL)-2-HYDROXYPHENOXY]PHENYL}PROPANOIC ACID
| Molecular Formula | C18H20N2O6 |
|---|---|
| Molecular Weight | 360.13214 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.13214 |
| Monoisotopic Mass | 360.13214 |
| Heavy Atoms | 26 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 882-23-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C[C@@H](C(=O)O)N)OC2=C(C=CC(=C2)CC(C(=O)O)N)O |
| InChIKey | FWZXNPNHUWFOCM-LSLKUGRBSA-N |
Product Overview
Isodityrosine (CAS 882-23-5), with molecular formula C18H20N2O6 and molecular weight 360.13214 g/mol. IUPAC: (2S)-2-amino-3-[4-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]propanoic acid.
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