(Q82805982)

English

(2S)-2-{[(1S)-1,2-Dicarboxyethyl]amino}-3-hydroxybutanedioic acid (non-preferred name)

chemical compound

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Statements

group of stereoisomers

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chemical compound

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265.04338093200005 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈H₁₁NO₉

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based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)CC(NC(C(=O)O)C(O)C(=O)O)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=C(O)C[C@H](N[C@H](C(=O)O)C(O)C(=O)O)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C8H11NO9/c10-3(11)1-2(6(13)14)9-4(7(15)16)5(12)8(17)18/h2,4-5,9,12H,1H2,(H,10,11)(H,13,14)(H,15,16)(H,17,18)/t2-,4-,5?/m0/s1

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XYBHHDIIOKAINY-VKVHHPIVSA-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

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