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(Q82837350)
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English
(2R)-2-Benzyl-1-[(3,3-dimethylbutoxy)carbonyl]pyrrolidine-2-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
332.18673189191
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(2S)-2-Benzyl-1-[(3,3-dimethylbutoxy)carbonyl]pyrrolidine-2-carboxylatato
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₆NO₄⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)(C)CCOC(=O)N1CCCC1(Cc1ccccc1)C(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)CCOC(=O)N1CCC[C@@]1(CC2=CC=CC=C2)C(=O)[O-]
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Identifiers
InChI
InChI=1S/C19H27NO4/c1-18(2,3)11-13-24-17(23)20-12-7-10-19(20,16(21)22)14-15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3,(H,21,22)/p-1/t19-/m1/s1
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InChIKey
OKGQCOAEMBIYNL-LJQANCHMSA-M
0 references
CAS Registry Number
918437-69-1
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PubChem CID
71427122
1 reference
matched by identifier from
InChIKey
InChIKey
OKGQCOAEMBIYNL-LJQANCHMSA-M
UniChem compound ID
61572201
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70845869
1 reference
matched by identifier from
InChIKey
InChIKey
OKGQCOAEMBIYNL-LJQANCHMSA-M
DSSTOX compound identifier
DTXCID80796611
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