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(Q82991572)
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English
3-({1-[(Carboxymethyl)imino]-1-hydroxypropan-2-yl}disulfanyl)alanine
group of stereoisomers with the chemical formula C₈H₁₄N₂O₅S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
282.034413548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₄N₂O₅S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(SSCC(N)C(=O)O)C(O)=NCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(SSC[C@H](N)C(=O)O)C(=O)NCC(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H14N2O5S2/c1-4(7(13)10-2-6(11)12)17-16-3-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4?,5-/m0/s1
0 references
InChIKey
ABRJVLRUVDJIJJ-AKGZTFGVSA-N
0 references
CAS Registry Number
77591-18-5
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PubChem CID
196050
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ABRJVLRUVDJIJJ-AKGZTFGVSA-N
UniChem compound ID
46608519
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50998807
1 reference
matched by identifier from
InChIKey
InChIKey
ABRJVLRUVDJIJJ-AKGZTFGVSA-N
DSSTOX compound identifier
DTXCID101425789
0 references
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