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S-(2,3-Dihydroxyphenyl)cysteine

HCID 192208
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Basic information

CAS
79329-88-7
Standard SMILES
N[C@@H](CSc1cccc(O)c1O)C(=O)O
InChIKey
ZRFSDMIIAXRWIU-YFKPBYRVSA-N
Molecular formula
C9H11NO4S
Average molar mass
229.26 g/mol
Monoisotopic mass
229.04087901

Names & identifiers

Preferred name
S-(2,3-Dihydroxyphenyl)cysteine
IUPAC
(2R)-2-amino-3-(2,3-dihydroxyphenyl)sulfanylpropanoic acid

Names & synonyms

S-(2,3-Dihydroxyphenyl)cysteineDTXSID50100040279329-88-7L-Cysteine, S-(2,3-dihydroxyphenyl)-RefChem:180487DTXCID90142736562133-41-9S-(2,3-Dihydroxyphenyl)-L-cysteine2-Amino-3-((2,3-dihydroxyphenyl)thio)propanoic acid

Database identifiers

CAS
79329-88-7
PubChem CID
192208
DTXSID
DTXSID501000402

Properties

Computed structural properties

XLogP
-1.9
Topological polar surface area
129 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
226

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