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(Q82300073)
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English
(2R)-2-[({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)methyl]-3-methylbutanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
353.162708216
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(2S)-2-[({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)methyl]-3-methylbutanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₃NO₄
0 references
canonical SMILES
CC(C)C(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)[C@H](CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C21H23NO4/c1-13(2)18(20(23)24)11-22-21(25)26-12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1
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InChIKey
WVHQNPPGMKCPTP-SFHVURJKSA-N
0 references
CAS Registry Number
501331-02-8
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PubChem CID
11739674
1 reference
matched by identifier from
InChIKey
InChIKey
WVHQNPPGMKCPTP-SFHVURJKSA-N
UniChem compound ID
23724956
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00471539
1 reference
matched by identifier from
InChIKey
InChIKey
WVHQNPPGMKCPTP-SFHVURJKSA-N
DSSTOX compound identifier
DTXCID10422355
0 references
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