(Q82942989)

English

Zinc 5-({3-[(acetyloxy)methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}carboximidato)-2-aminopentanoate

group of stereoisomers with the chemical formula C₁₆H₁₉N₃O₈SZn

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Statements

group of stereoisomers

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chemical compound

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477.018427768 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₁₉N₃O₈SZn

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based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N=C([O-])CCCC(N)C(=O)[O-])C2SC1.[Zn+2]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C([O-])CCCC(N)C(=O)[O-])[C@H]2SC1.[Zn+2]

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C16H21N3O8S.Zn/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/q;+2/p-2/t9?,11-,14-;/m1./s1

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TVMXJQZBKOMFQK-BJIHTTGYSA-L

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID001389366

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