(Q82597978)

English

Disodium 3-({(2R)-2-carboxylato-2-[(~2~H_3_)ethanoylamino]ethyl}sulfanyl)butanoate

group of stereoisomers with the chemical formula C₉H₁₃NNa₂O₅S

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Statements

group of stereoisomers

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chemical compound

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296.049812314 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₉H₁₃NNa₂O₅S

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based on heuristic

inferred from SMILES

canonical SMILES

[2H]C([2H])([2H])C([O-])=NC(CSC(C)CC(=O)[O-])C(=O)O.[Na+].[Na+]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

[2H]C([2H])([2H])C([O-])=N[C@@H](CSC(C)CC(=O)[O-])C(=O)O.[Na+].[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C9H15NO5S.2Na/c1-5(3-8(12)13)16-4-7(9(14)15)10-6(2)11;;/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15);;/q;2*+1/p-2/t5?,7-;;/m0../s1/i2D3;;

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MUCIEDHPXAQZRB-YRXXMFLKSA-L

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

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