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(Q82660767)
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English
(2R,5S)-2-Amino-4-(tert-butoxycarbonyl)-5-methylheptanoic acid (non-preferred name)
group of stereoisomers with the chemical formula C₁₃H₂₅NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
259.17835828
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₅NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)C(CC(N)C(=O)O)C(=O)OC(C)(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H](C)C(C[C@@H](N)C(=O)O)C(=O)OC(C)(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H25NO4/c1-6-8(2)9(7-10(14)11(15)16)12(17)18-13(3,4)5/h8-10H,6-7,14H2,1-5H3,(H,15,16)/t8-,9?,10+/m0/s1
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InChIKey
BOUWTEPENLRIRR-DJBFQZMMSA-N
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CAS Registry Number
331763-49-6
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PubChem CID
57348915
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45679644
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20721740
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DSSTOX compound identifier
DTXCID20672485
0 references
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