(Q82445461)

English

1-[(4-Aminobutyl)(2-carboxy-4-phenylbutyl)carbamoyl]-L-proline

group of stereoisomers with the chemical formula C₂₁H₃₁N₃O₅

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Statements

group of stereoisomers

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chemical compound

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405.22637109199997 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₁N₃O₅

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based on heuristic

inferred from SMILES

canonical SMILES

NCCCCN(CC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

NCCCCN(CC(CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H31N3O5/c22-12-4-5-13-23(21(29)24-14-6-9-18(24)20(27)28)15-17(19(25)26)11-10-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-15,22H2,(H,25,26)(H,27,28)/t17?,18-/m0/s1

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APLGJPZBNUDSCB-ZVAWYAOSSA-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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