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English
N-Acetyl-S-[2-(2-aminopropyl)-4,5-dihydroxyphenyl]-L-cysteine
group of stereoisomers with the chemical formula C₁₄H₂₀N₂O₅S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
328.10929273999994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₀N₂O₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)=NC(CSc1cc(O)c(O)cc1CC(C)N)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)N[C@@H](CSc1cc(O)c(O)cc1CC(C)N)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H20N2O5S/c1-7(15)3-9-4-11(18)12(19)5-13(9)22-6-10(14(20)21)16-8(2)17/h4-5,7,10,18-19H,3,6,15H2,1-2H3,(H,16,17)(H,20,21)/t7?,10-/m0/s1
0 references
InChIKey
DYNXUXWNIWNPED-MHPPCMCBSA-N
0 references
CAS Registry Number
163686-23-5
0 references
PubChem CID
71350446
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53107780
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50776248
0 references
DSSTOX compound identifier
DTXCID60726991
0 references
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