(Q82543697)

English

(6R,7R)-3-[(Carbamoyloxy)methyl]-7-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

chemical compound

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

424.068884472 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₁₆N₄O₈S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CON=C(C(O)=NC1C(=O)N2C(C(=O)O)C(COC(=N)O)=CSC12)c1ccco1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)C(COC(N)=O)=CS[C@H]12)c1ccco1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,6,10-11,14H,5H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,11?,14-/m1/s1

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InChIKey

AIEMBSSBMKFDGU-YNZZGVKBSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AIEMBSSBMKFDGU-YNZZGVKBSA-N

1 reference

1 reference

matched by identifier from

InChIKey

AIEMBSSBMKFDGU-YNZZGVKBSA-N

DSSTOX compound identifier

DTXCID30586120

0 references

(Q82543697)

(6R,7R)-3-[(Carbamoyloxy)methyl]-7-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

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Identifiers

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