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English
2-Benzyl-1-[hydroxy(phenyl)acetyl]-L-proline
group of stereoisomers with the chemical formula C₂₀H₂₁NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
339.147058152
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₁NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(C(O)c1ccccc1)N1CCCC1(Cc1ccccc1)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C(C(O)c1ccccc1)N1CCC[C@@]1(Cc1ccccc1)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H21NO4/c22-17(16-10-5-2-6-11-16)18(23)21-13-7-12-20(21,19(24)25)14-15-8-3-1-4-9-15/h1-6,8-11,17,22H,7,12-14H2,(H,24,25)/t17?,20-/m1/s1
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InChIKey
BTINMVGTSILWCK-UUSAFJCLSA-N
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CAS Registry Number
61898-83-7
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PubChem CID
71391344
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
59582898
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00813218
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DSSTOX compound identifier
DTXCID40763960
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