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(Q82994764)
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English
5-Hydroxy-5-({1-oxo-3-phenyl-1-[(quinolin-6-yl)amino]propan-2-yl}imino)pentanoic acid
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
405.16885621599994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₃H₂₃N₃O₄
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canonical SMILES
O=C(O)CCCC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC3=C(C=C2)N=CC=C3)NC(=O)CCCC(=O)O
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Identifiers
InChI
InChI=1S/C23H23N3O4/c27-21(9-4-10-22(28)29)26-20(14-16-6-2-1-3-7-16)23(30)25-18-11-12-19-17(15-18)8-5-13-24-19/h1-3,5-8,11-13,15,20H,4,9-10,14H2,(H,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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InChIKey
MSXUQDFLWOHEIZ-FQEVSTJZSA-N
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CAS Registry Number
80115-54-4
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PubChem CID
133373
1 reference
matched by identifier from
InChIKey
InChIKey
MSXUQDFLWOHEIZ-FQEVSTJZSA-N
UniChem compound ID
523644
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701000977
1 reference
matched by identifier from
InChIKey
InChIKey
MSXUQDFLWOHEIZ-FQEVSTJZSA-N
DSSTOX compound identifier
DTXCID401427934
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