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(Q72509730)
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English
cis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid
chemical compound
cis-4-(Boc-amino)cyclohexanecarboxylic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
243.147058152
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₁NO₄
0 references
canonical SMILES
CC(C)(C)OC(O)=NC1CCC(C(=O)O)CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-8(5-7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
0 references
InChIKey
KXMRDHPZQHAXML-UHFFFAOYSA-N
0 references
CAS Registry Number
53292-89-0
0 references
PubChem CID
2755996
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
SureChEMBL ID
SCHEMBL262172
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXMRDHPZQHAXML-UHFFFAOYSA-N
UniChem compound ID
22792774
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50967876
0 references
DSSTOX compound identifier
DTXCID601395470
0 references
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