Isodityrosine

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Basic information

CAS: 83118-65-4
Standard SMILES: NC(Cc1ccc(O)c(Oc2ccc(C[C@H](N)C(=O)O)cc2)c1)C(=O)O
InChIKey: FWZXNPNHUWFOCM-LSLKUGRBSA-N
Molecular formula: C18H20N2O6
Average molar mass: 360.4 g/mol
Monoisotopic mass: 360.13213636

Overview

structure given in first source

Names & identifiers

Preferred name: Isodityrosine
IUPAC: (2S)-2-amino-3-[4-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]propanoic acid
English name: isodityrosine
Molecular weight: 0

Names & synonyms

Isodityrosine83118-65-4L-Tyrosine, O-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl)-L-Tyrosine, O-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-RefChem:149285(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 ACIDSCHEMBL30340248DTXSID402763432-Amino-3-(3-{4-[(2S)-2-amino-2-carboxyethyl]phenoxy}-4-hydroxyphenyl)propanoic acidO,3'-Bi[tyrosine]L,L-Isodityrosine

Show more names

3,O'-Bi(L-tyrosine)Tyrosine Impurity 82 (Isodityrosine)4-Hydroxy[3,4'-oxybis(L-phenylalanine)]

Database identifiers

CAS: 83118-65-4、882-23-5
PubChem CID: 134162
DTXSID: DTXSID40276343

Properties

Computed structural properties

XLogP: -3.6
Topological polar surface area: 156 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 480

Chemistry & industry

Applications

DescriptionIsodityrosine is a new cross-linking amino acid from plant cell-wall glycoprotein.

Related reactions

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Compound notes

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