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(Q83016676)
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English
MM 42842
group of stereoisomers with the chemical formula C₁₃H₂₂N₄O₉S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
410.1107492839999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₂N₄O₉S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC1(N=C(O)C(C)N=C(O)CCC(N)C(=O)O)C(=O)N(S(=O)(=O)O)C1C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CO[C@@]1(NC(=O)C(C)NC(=O)CC[C@H](N)C(=O)O)C(=O)N(S(=O)(=O)O)[C@@H]1C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H22N4O9S/c1-6(15-9(18)5-4-8(14)11(20)21)10(19)16-13(26-3)7(2)17(12(13)22)27(23,24)25/h6-8H,4-5,14H2,1-3H3,(H,15,18)(H,16,19)(H,20,21)(H,23,24,25)/t6?,7-,8+,13-/m1/s1
0 references
InChIKey
KBXJJUKRJUEIMJ-FCWTXDKESA-N
0 references
CAS Registry Number
113784-28-4
0 references
PubChem CID
71300433
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67808654
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60150550
0 references
DSSTOX compound identifier
DTXCID4073041
0 references
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