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(Q72444085)
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English
7-AVCA
chemical compound
(6R,7R)-7-Amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
226.04121318
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₁₀N₂O₃S
0 references
canonical SMILES
C=CC1=C(C(=O)O)N2C(=O)C(N)C2SC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C9H10N2O3S/c1-2-4-3-15-8-5(10)7(12)11(8)6(4)9(13)14/h2,5,8H,1,3,10H2,(H,13,14)/t5-,8-/m1/s1
0 references
InChIKey
GQLGFBRMCCVQLU-SVGQVSJJSA-N
0 references
CAS Registry Number
79349-82-9
1 reference
InChIKey
GQLGFBRMCCVQLU-SVGQVSJJSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=79349-82-9
PubChem CID
7280824
2 references
stated in
PubChemLite tier0 and tier1
matched by identifier from
InChIKey
InChIKey
GQLGFBRMCCVQLU-SVGQVSJJSA-N
7280823
1 reference
matched by identifier from
InChIKey
InChIKey
GQLGFBRMCCVQLU-SVGQVSJJSA-N
UniChem compound ID
5398593
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80428501
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
GQLGFBRMCCVQLU-SVGQVSJJSA-N
DSSTOX compound identifier
DTXCID10379335
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