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(Q72434023)
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English
(S)-2-Acetamido-3-(4-chlorophenyl)propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical formula
C₁₁H₁₂ClNO₃
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canonical SMILES
CC(=O)NC(Cc1ccc(Cl)cc1)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H12ClNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
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InChIKey
HLORMWAKCPDIPU-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
55478-55-2
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PubChem CID
602662
1 reference
matched by identifier from
InChIKey
InChIKey
HLORMWAKCPDIPU-UHFFFAOYSA-N
DSSTox substance ID
DTXSID90946089
1 reference
matched by identifier from
InChIKey
InChIKey
HLORMWAKCPDIPU-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0243712
1 reference
matched by identifier from
InChIKey
InChIKey
HLORMWAKCPDIPU-UHFFFAOYSA-N
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