(Q82945782)

English

6-[(1-Hydroxy-2-methoxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

group of stereoisomers with the chemical formula C₁₇H₂₀N₂O₅S

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Statements

group of stereoisomers

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chemical compound

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364.10929274 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₀N₂O₅S

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based on heuristic

inferred from SMILES

canonical SMILES

COC(C(O)=NC1C(=O)N2C1SC(C)(C)C2C(=O)O)c1ccccc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C17H20N2O5S/c1-17(2)12(16(22)23)19-14(21)10(15(19)25-17)18-13(20)11(24-3)9-7-5-4-6-8-9/h4-8,10-12,15H,1-3H3,(H,18,20)(H,22,23)/t10-,11?,12+,15-/m1/s1

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CFAPFYIDCNSOLI-GSNLGQFWSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID301391605

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