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tert-Butyl (2S)-2-benzamidobutanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
263.152143532
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
tert-Butyl (2R)-2-benzamidobutanoate
1 reference
based on heuristic
inferred from InChIKey
chemical formula
C₁₅H₂₁NO₃
0 references
canonical SMILES
CCC(NC(=O)c1ccccc1)C(=O)OC(C)(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=CC=C1
0 references
Identifiers
InChI
InChI=1S/C15H21NO3/c1-5-12(14(18)19-15(2,3)4)16-13(17)11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3,(H,16,17)/t12-/m0/s1
0 references
InChIKey
KOJSXEASEWWTDV-LBPRGKRZSA-N
0 references
CAS Registry Number
888013-32-9
0 references
PubChem CID
71408226
1 reference
matched by identifier from
InChIKey
InChIKey
KOJSXEASEWWTDV-LBPRGKRZSA-N
UniChem compound ID
53316695
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40828240
1 reference
matched by identifier from
InChIKey
InChIKey
KOJSXEASEWWTDV-LBPRGKRZSA-N
DSSTOX compound identifier
DTXCID30778982
0 references
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