(Q82915977)

English

2-{4-Benzyl-2,5-dihydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)imino]pentyl}-N-tert-butylbenzene-1-carboximidic acid

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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514.283157696 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₈N₂O₄

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C)(C)N=C(O)c1ccccc1CC(O)CC(Cc1ccccc1)C(O)=NC1c2ccccc2CC1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C32H38N2O4/c1-32(2,3)34-31(38)27-16-10-8-13-22(27)18-25(35)19-24(17-21-11-5-4-6-12-21)30(37)33-29-26-15-9-7-14-23(26)20-28(29)36/h4-16,24-25,28-29,35-36H,17-20H2,1-3H3,(H,33,37)(H,34,38)/t24-,25-,28-,29?/m1/s1

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LPKGCGBFBIWEQP-JNORUNBXSA-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

DTXCID201367990

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