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(Q76145316)
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English
(2S)-2-[(4-methylphenyl)sulfonylamino]pentanedioic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
301.0620082
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₅NO₆S
0 references
canonical SMILES
Cc1ccc(S(=O)(=O)NC(CCC(=O)O)C(=O)O)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C12H15NO6S/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1
0 references
InChIKey
KKOZKXBAPIYWAT-JTQLQIEISA-N
0 references
CAS Registry Number
4816-80-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
2063452
0 references
UniChem compound ID
23130483
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301256419
1 reference
matched by identifier from
InChIKey
InChIKey
KKOZKXBAPIYWAT-JTQLQIEISA-N
UNII
2HXU3N9FF3
1 reference
matched by identifier from
InChIKey
InChIKey
KKOZKXBAPIYWAT-JTQLQIEISA-N
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