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English
3-[2-Amino-1-(3,4-dihydroxyphenyl)ethyl]-L-histidine
group of stereoisomers with the chemical formula C₁₄H₁₈N₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
306.13280505599994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈N₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NCC(c1ccc(O)c(O)c1)n1cncc1CC(N)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
NCC(c1ccc(O)c(O)c1)n1cncc1C[C@H](N)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H18N4O4/c15-5-11(8-1-2-12(19)13(20)3-8)18-7-17-6-9(18)4-10(16)14(21)22/h1-3,6-7,10-11,19-20H,4-5,15-16H2,(H,21,22)/t10-,11?/m0/s1
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InChIKey
QLHKCGDXBFZNTD-VUWPPUDQSA-N
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CAS Registry Number
188987-97-5
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PubChem CID
71348320
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58782680
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70774221
0 references
DSSTOX compound identifier
DTXCID30724964
0 references
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