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(Q82741289)
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English
N-Acetyl-S-(1,4-dihydroxynonan-3-yl)-L-cysteine
group of stereoisomers with the chemical formula C₁₄H₂₇NO₅S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
321.16099396399994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₇NO₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC(O)C(CCO)SCC(N=C(C)O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCC(O)C(CCO)SC[C@H](NC(C)=O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H27NO5S/c1-3-4-5-6-12(18)13(7-8-16)21-9-11(14(19)20)15-10(2)17/h11-13,16,18H,3-9H2,1-2H3,(H,15,17)(H,19,20)/t11-,12?,13?/m0/s1
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InChIKey
ARTIYUHAZAUEFO-HIFPTAJRSA-N
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CAS Registry Number
158822-69-6
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PubChem CID
71353989
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67244017
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30778700
0 references
DSSTOX compound identifier
DTXCID20729443
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