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(Q82939234)
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English
N-[2-({1-[(Ethoxycarbonyl)oxy]ethoxy}carbonyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylethanimidic acid
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
450.14607217199995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆N₂O₇S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(N=C(O)Cc3ccccc3)C2SC1(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H26N2O7S/c1-5-28-20(27)30-12(2)29-19(26)16-21(3,4)31-18-15(17(25)23(16)18)22-14(24)11-13-9-7-6-8-10-13/h6-10,12,15-16,18H,5,11H2,1-4H3,(H,22,24)/t12?,15-,16+,18-/m1/s1
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InChIKey
LLOPNXSHSVOOOI-NZHQHIMKSA-N
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CAS Registry Number
37660-97-2
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PubChem CID
193750
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
25573110
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70958701
0 references
DSSTOX compound identifier
DTXCID701386599
0 references
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