(Q82987269)

English

6-({1-Hydroxy-2-[(1-hydroxypropylidene)amino]-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 C₁₉H₂₃N₃O₅S

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Statements

group of stereoisomers

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chemical compound

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405.135841836 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₃N₃O₅S

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(O)=NC(C(O)=NC1C(=O)N2C1SC(C)(C)C2C(=O)O)c1ccccc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC(=O)NC(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/C19H23N3O5S/c1-4-11(23)20-12(10-8-6-5-7-9-10)15(24)21-13-16(25)22-14(18(26)27)19(2,3)28-17(13)22/h5-9,12-14,17H,4H2,1-3H3,(H,20,23)(H,21,24)(H,26,27)/t12?,13-,14+,17-/m1/s1

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NHCFJUVZVWVWQZ-DSZSVDOYSA-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

DTXCID401422722

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