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(Q82907108)
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English
4-Amino-5-({3-[(2-bromo-2-chloro-1,1-difluoroethyl)sulfanyl]-1-[(carboxymethyl)imino]-1-hydroxypropan-2-yl}imino)-5-hydroxypentanoic acid
group of stereoisomers with the chemical formula C₁₂H₁₇BrClF₂N₃O₆S
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
0 references
mass
482.967802484
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₇BrClF₂N₃O₆S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(CCC(=O)O)C(O)=NC(CSC(F)(F)C(Cl)Br)C(O)=NCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H](CCC(=O)O)C(=O)N[C@@H](CSC(F)(F)C(Cl)Br)C(=O)NCC(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H17BrClF2N3O6S/c13-11(14)12(15,16)26-4-6(10(25)18-3-8(22)23)19-9(24)5(17)1-2-7(20)21/h5-6,11H,1-4,17H2,(H,18,25)(H,19,24)(H,20,21)(H,22,23)/t5-,6-,11?/m0/s1
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InChIKey
OTVNACHPZVGLNB-KNNPZSQVSA-N
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CAS Registry Number
142628-07-7
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PubChem CID
3036106
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53264979
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40931546
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DSSTOX compound identifier
DTXCID601360253
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