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(Q82239205)
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English
2-[(2-Bromophenyl)methyl]-1-(tert-butoxycarbonyl)-D-proline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
383.07322028399994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(R)-2-(2-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₂BrNO₄
0 references
canonical SMILES
CC(C)(C)OC(=O)N1CCCC1(Cc1ccccc1Br)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=CC=C2Br)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(22)19-10-6-9-17(19,14(20)21)11-12-7-4-5-8-13(12)18/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,21)/t17-/m0/s1
0 references
InChIKey
LRWBZPYAVUGRHS-KRWDZBQOSA-N
0 references
CAS Registry Number
706806-73-7
0 references
PubChem CID
6958010
1 reference
matched by identifier from
InChIKey
InChIKey
LRWBZPYAVUGRHS-KRWDZBQOSA-N
UniChem compound ID
23465600
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30426259
1 reference
matched by identifier from
InChIKey
InChIKey
LRWBZPYAVUGRHS-KRWDZBQOSA-N
DSSTOX compound identifier
DTXCID10377093
0 references
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