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(Q63396576)
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English
(2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
265.131408088
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(R)-Metalaxyl acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₉NO₄
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canonical SMILES
COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)O)C(=O)COC
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Identifiers
InChI
InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m0/s1
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InChIKey
ZRIKZVLHMGYCIR-NSHDSACASA-N
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CAS Registry Number
75596-99-5
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PubChem CID
159151
1 reference
matched by identifier from
InChIKey
InChIKey
ZRIKZVLHMGYCIR-NSHDSACASA-N
ChEBI ID
183423
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m0/s1
SureChEMBL ID
SCHEMBL6051040
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZRIKZVLHMGYCIR-NSHDSACASA-N
UniChem compound ID
26859228
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Eawag-EQ323301
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MSBNK-Eawag-EQ323302
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MSBNK-Eawag-EQ323303
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MSBNK-Eawag-EQ323304
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MSBNK-Eawag-EQ323305
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MSBNK-Eawag-EQ323306
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MSBNK-Eawag-EQ323307
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MSBNK-Eawag-EQ323308
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MSBNK-Eawag-EQ323309
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MSBNK-Eawag-EQ323351
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MSBNK-Eawag-EQ323352
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MSBNK-Eawag-EQ323353
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MSBNK-Eawag-EQ323354
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MSBNK-Eawag-EQ323355
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MSBNK-Eawag-EQ323356
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MSBNK-Eawag-EQ323357
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MSBNK-Eawag-EQ323358
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MSBNK-Eawag-EQ323359
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DSSTox substance ID
DTXSID20891472
1 reference
matched by identifier from
InChIKey
InChIKey
ZRIKZVLHMGYCIR-NSHDSACASA-N
DSSTOX compound identifier
DTXCID001030581
0 references
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