Products 25565-17-7

CAS 25565-17-7 is the registry number for 2-S-Cysteinyldopa. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

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 diamine, a L-tyrosine derivative, a member of catechols, an aryl sulfide, an amino dicarboxylic acid, a S-organyl-L-cysteine and a S-conjugate. It is functionally related to a L-dopa.

Source: ChEBI

Identity
Molecular formulaC12H16N2O6S
Molecular weight316.33 g/mol
IUPAC name(2S)-2-amino-3-[2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-3,4-dihydroxyphenyl]propanoic acid
InChIKeyIAGPESOLVJAEAG-BQBZGAKWSA-N
SMILESC1=CC(=C(C(=C1C[C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N)O)O

Computed by PubChem (NCBI)