(Q82996056)

English

Sodium 7-[(5-amino-5-carboxy-1-oxidanidylpentylidene)amino]-2-carboxy-3-(hydroxymethyl)-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene

group of stereoisomers with the chemical formula C₁₅H₂₂N₃NaO₇S

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Statements

group of stereoisomers

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chemical compound

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411.107615324 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂N₃NaO₇S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COC1(N=C([O-])CCCC(N)C(=O)O)CN2C(C(=O)O)=C(CO)CSC21.[Na+]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CO[C@]1(N=C([O-])CCCC(N)C(=O)O)CN2C(C(=O)O)=C(CO)CS[C@@H]21.[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C15H23N3O7S.Na/c1-25-15(17-10(20)4-2-3-9(16)12(21)22)7-18-11(13(23)24)8(5-19)6-26-14(15)18;/h9,14,19H,2-7,16H2,1H3,(H,17,20)(H,21,22)(H,23,24);/q;+1/p-1/t9?,14-,15-;/m1./s1

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LQCWMZOBDLQQBP-YTXFTZFESA-M

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CAS Registry Number

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DSSTox substance ID

DTXSID501002022

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DSSTOX compound identifier

DTXCID501428961

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