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(Q82130752)
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English
D-Alanine, N-[(4-methylphenyl)sulfonyl]-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
243.056528896
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
N-[(4-Methylphenyl)sulfonyl]-L-alanine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₃NO₄S
0 references
canonical SMILES
Cc1ccc(S(=O)(=O)NC(C)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](C)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(14,15)11-8(2)10(12)13/h3-6,8,11H,1-2H3,(H,12,13)/t8-/m1/s1
0 references
InChIKey
LQXKHFZRJYXXFA-MRVPVSSYSA-N
0 references
CAS Registry Number
85471-45-0
0 references
PubChem CID
737623
1 reference
matched by identifier from
InChIKey
InChIKey
LQXKHFZRJYXXFA-MRVPVSSYSA-N
SureChEMBL ID
SCHEMBL4975578
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LQXKHFZRJYXXFA-MRVPVSSYSA-N
UniChem compound ID
25255554
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70353272
1 reference
matched by identifier from
InChIKey
InChIKey
LQXKHFZRJYXXFA-MRVPVSSYSA-N
DSSTOX compound identifier
DTXCID20304335
0 references
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