(Q82816725)

English

N-(4-{[2-(4-Methylcyclohexyl)propan-2-yl]oxy}phenyl)-L-alanine

group of stereoisomers with the chemical formula C₁₉H₂₉NO₃

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Statements

type of chemical entity

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chemical compound

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319.214743788 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₉NO₃

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based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC(C(C)(C)Oc2ccc(NC(C)C(=O)O)cc2)CC1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1CCC(C(C)(C)Oc2ccc(N[C@@H](C)C(=O)O)cc2)CC1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H29NO3/c1-13-5-7-15(8-6-13)19(3,4)23-17-11-9-16(10-12-17)20-14(2)18(21)22/h9-15,20H,5-8H2,1-4H3,(H,21,22)/t13?,14-,15?/m0/s1

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ZIMIWVCFKVABBF-SLTAFYQDSA-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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