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(Q83101019)
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English
(2S-(2alpha,4beta,5alpha,6alpha))-3,3-Dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4-oxide
group of stereoisomers with the chemical formula C₁₆H₁₈N₂O₅S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
350.09364267599994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈N₂O₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1(C)C(C(=O)O)N2C(=O)C(N=C(O)Cc3ccccc3)C2S1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1(C)[C@H](C(=O)O)N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@H]2S1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12-,14+,24?/m0/s1
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InChIKey
FCZNNHHXCFARDY-SSDBHXGOSA-N
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CAS Registry Number
72402-09-6
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PubChem CID
2210964
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
65836907
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50222699
0 references
DSSTOX compound identifier
DTXCID30145190
0 references
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