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(Q82642318)
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English
S-[(4-Bromophenyl)methyl]-L-cysteinylglycine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
345.99867544
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₅BrN₂O₃S
0 references
canonical SMILES
NC(CSCc1ccc(Br)cc1)C(=O)NCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC(=CC=C1CSC[C@@H](C(=O)NCC(=O)O)N)Br
0 references
Identifiers
InChI
InChI=1S/C12H15BrN2O3S/c13-9-3-1-8(2-4-9)6-19-7-10(14)12(18)15-5-11(16)17/h1-4,10H,5-7,14H2,(H,15,18)(H,16,17)/t10-/m0/s1
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InChIKey
KBZPBECFAIRZNJ-JTQLQIEISA-N
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CAS Registry Number
60722-78-3
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PubChem CID
53986671
1 reference
matched by identifier from
InChIKey
InChIKey
KBZPBECFAIRZNJ-JTQLQIEISA-N
UniChem compound ID
46988955
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20708172
1 reference
matched by identifier from
InChIKey
InChIKey
KBZPBECFAIRZNJ-JTQLQIEISA-N
DSSTOX compound identifier
DTXCID60658920
0 references
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