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(Q82903413)
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English
S-[2-Carboxy-1-(1H-imidazol-5-yl)ethyl]cysteinyl-N-gamma-glutamylglycine
group of stereoisomers with the chemical formula C₁₆H₂₃N₅O₈S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
445.126733696
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₃N₅O₈S
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)c1cnc[nH]1)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)c1cnc[nH]1)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H23N5O8S/c17-8(16(28)29)1-2-12(22)21(5-14(25)26)15(27)9(18)6-30-11(3-13(23)24)10-4-19-7-20-10/h4,7-9,11H,1-3,5-6,17-18H2,(H,19,20)(H,23,24)(H,25,26)(H,28,29)/t8-,9-,11?/m0/s1
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InChIKey
LISSZDOYKZVZMS-HBEAOTSJSA-N
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CAS Registry Number
134381-44-5
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PubChem CID
3036068
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
61950119
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60928594
0 references
DSSTOX compound identifier
DTXCID801357359
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