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(Q82661021)
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English
(2S)-3-Amino-4-(2-bromophenyl)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}butanoic acid
group of stereoisomers with the chemical formula C₂₅H₂₂BrNO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
479.07322028399994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₂BrNO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(Cc1ccccc1Br)C(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
NC(Cc1ccccc1Br)[C@@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H22BrNO4/c26-21-12-6-1-7-15(21)13-22(27)23(24(28)29)25(30)31-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22-23H,13-14,27H2,(H,28,29)/t22?,23-/m0/s1
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InChIKey
PRNNBQPZBUMLMF-WCSIJFPASA-N
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CAS Registry Number
403661-79-0
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PubChem CID
57349753
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42905224
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50721955
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DSSTOX compound identifier
DTXCID40672700
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