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(Q82661219)
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English
(2R)-2-[Amino(thiophen-2-yl)methyl]-3-tert-butoxy-3-oxopropanoic acid
group of stereoisomers with the chemical formula C₁₂H₁₇NO₄S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
271.08782902400003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₇NO₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)(C)OC(=O)C(C(=O)O)C(N)c1cccs1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)[C@@H](C(=O)O)C(N)c1cccs1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H17NO4S/c1-12(2,3)17-11(16)8(10(14)15)9(13)7-5-4-6-18-7/h4-6,8-9H,13H2,1-3H3,(H,14,15)/t8-,9?/m1/s1
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InChIKey
IRIMDUUDRBJWIS-VEDVMXKPSA-N
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CAS Registry Number
500788-98-7
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PubChem CID
57350239
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62375335
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90722103
0 references
DSSTOX compound identifier
DTXCID60672848
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