(Q82915968)

English

2-Benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(2-methoxy-4-phenoxyphenyl)pentanimidic acid

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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537.25152322 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₅NO₅

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based on heuristic

inferred from SMILES

canonical SMILES

COc1cc(Oc2ccccc2)ccc1CC(O)CC(Cc1ccccc1)C(O)=NC1c2ccccc2CC1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cc(Oc2ccccc2)ccc1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C34H35NO5/c1-39-32-22-29(40-28-13-6-3-7-14-28)17-16-25(32)19-27(36)20-26(18-23-10-4-2-5-11-23)34(38)35-33-30-15-9-8-12-24(30)21-31(33)37/h2-17,22,26-27,31,33,36-37H,18-21H2,1H3,(H,35,38)/t26-,27-,31-,33?/m1/s1

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DZZREZWCXMMECK-SZRBNQSRSA-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

DTXCID701367983

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