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(Q83125703)
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English
1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(3(3S*,5S*),5-alpha,6-alpha(R*)))-
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
369.13584183600005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₃N₃O₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)C1C(=O)N2C(C(=O)O)=C(SC3CNC(C(=O)N(C)C)C3)CC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(O)[C@@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)C[C@@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H23N3O5S/c1-7(20)12-10-5-11(13(16(23)24)19(10)15(12)22)25-8-4-9(17-6-8)14(21)18(2)3/h7-10,12,17,20H,4-6H2,1-3H3,(H,23,24)/t7?,8-,9-,10-,12-/m0/s1
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InChIKey
JFIIZMWQVYJEAL-INBPEXDHSA-N
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CAS Registry Number
96036-00-9
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PubChem CID
71301094
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49291317
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80242103
0 references
DSSTOX compound identifier
DTXCID40164594
0 references
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