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(Q105156722)
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English
6-{[2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
group of stereoisomers with the chemical formula C₁₆H₁₉N₃O₅S
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Statements
instance of
group of stereoisomers
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subclass of
penicillin
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carboxylic acid
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mass
365.1045417079999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₉N₃O₅S
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canonical SMILES
CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O
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Identifiers
InChI
InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)
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InChIKey
LSQZJLSUYDQPKJ-UHFFFAOYSA-N
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PubChem CID
2171
1 reference
matched by identifier from
InChIKey
InChIKey
LSQZJLSUYDQPKJ-UHFFFAOYSA-N
4663997
1 reference
matched by identifier from
InChIKey
InChIKey
LSQZJLSUYDQPKJ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL226659
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LSQZJLSUYDQPKJ-UHFFFAOYSA-N
NMRShiftDB structure ID
20242183
1 reference
matched by identifier from
InChIKey
InChIKey
LSQZJLSUYDQPKJ-UHFFFAOYSA-N
DSSTox substance ID
DTXSID50860378
1 reference
matched by identifier from
InChIKey
InChIKey
LSQZJLSUYDQPKJ-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0243588
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LSQZJLSUYDQPKJ-UHFFFAOYSA-N
Probes And Drugs ID
PD055326
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