(Q82647394)

English

N-[1-Carboxy-5-oxo-5-(thiophen-2-yl)pentyl]-L-alanyl-L-proline

chemical compound

In more languages

Statements

group of stereoisomers

0 references

chemical compound

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396.135507488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₄N₂O₆S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(NC(CCCC(=O)c1cccs1)C(=O)O)C(=O)N1CCCC1C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](NC(CCCC(=O)c1cccs1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C18H24N2O6S/c1-11(16(22)20-9-3-6-13(20)18(25)26)19-12(17(23)24)5-2-7-14(21)15-8-4-10-27-15/h4,8,10-13,19H,2-3,5-7,9H2,1H3,(H,23,24)(H,25,26)/t11-,12?,13-/m0/s1

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XQVQEJSYLWERJV-RXTYADHFSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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