2-[[(2R)-2-Amino-2-carboxyethyl]thio]-3-hydroxy-L-tyrosine
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2-[[(2R)-2-Amino-2-carboxyethyl]thio]-3-hydroxy-L-tyrosine
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CAS No:
25565-17-7
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Formula:
C12H16N2O6S
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Chemical Name:
2-[[(2R)-2-Amino-2-carboxyethyl]thio]-3-hydroxy-L-tyrosine
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Synonyms:
L-Tyrosine,2-[[(2R)-2-amino-2-carboxyethyl]thio]-3-hydroxy-;L-Tyrosine,2-[(2-amino-2-carboxyethyl)thio]-3-hydroxy-,(R)-;2-[[(2R)-2-Amino-2-carboxyethyl]thio]-3-hydroxy-L-tyrosine;2-S-Cysteinyldopa;956006-98-7
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CAS No:
Description
2-S-cysteinyl-DOPA is an L-tyrosine derivative that is L-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma. It has a role as a human urinary metabolite. It is a member of catechols, a S-organyl-L-cysteine, a L-tyrosine derivative, an aryl sulfide, an amino dicarboxylic acid, a diamine and a S-conjugate. It derives from a L-dopa.
2-[[(2R)-2-Amino-2-carboxyethyl]thio]-3-hydroxy-L-tyrosine Basic Attributes
316.33 g/mol
316.33
DTXSID80180258
Computed Properties
Molecular Weight:316.33
XLogP3:-5.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:316.07290741
Monoisotopic Mass:316.07290741
Topological Polar Surface Area:192
Heavy Atom Count:21
Complexity:383
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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