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English
S-(1,2-Dicarboxyethyl)cysteinyl-N-gamma-glutamylglycine
group of stereoisomers with the chemical formula C₁₄H₂₁N₃O₁₀S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
423.09476487199987
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₁N₃O₁₀S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(CCC(=O)N(CC(=O)O)C(=O)C(N)CSC(CC(=O)O)C(=O)O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H](CCC(=O)N(CC(=O)O)C(=O)[C@@H](N)CSC(CC(=O)O)C(=O)O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H21N3O10S/c15-6(13(24)25)1-2-9(18)17(4-11(21)22)12(23)7(16)5-28-8(14(26)27)3-10(19)20/h6-8H,1-5,15-16H2,(H,19,20)(H,21,22)(H,24,25)(H,26,27)/t6-,7-,8?/m0/s1
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InChIKey
NXXXUJKQMOMDMS-WPZUCAASSA-N
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CAS Registry Number
1115-52-2
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PubChem CID
160561
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
142440
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
48485237
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70912186
0 references
DSSTOX compound identifier
DTXCID901341210
0 references
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