(Q82904131)

English

(3-{[7-Butyl-4,9-dimethyl-8-(4-methyl-2-oxopentyl)-2,6-dioxo-1,5-dioxonan-3-yl](methyl)carbamoyl}-2-hydroxyphenyl)methanimidic acid

group of stereoisomers with the chemical formula C₂₈H₄₀N₂O₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

532.27846624 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀N₂O₈

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCC1C(=O)OC(C)C(N(C)C(=O)c2cccc(N=CO)c2O)C(=O)OC(C)C1CC(=O)CC(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCC[C@H]1C(=O)OC(C)C(N(C)C(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@H]1CC(=O)CC(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H40N2O8/c1-7-8-10-20-22(14-19(32)13-16(2)3)17(4)37-28(36)24(18(5)38-27(20)35)30(6)26(34)21-11-9-12-23(25(21)33)29-15-31/h9,11-12,15-18,20,22,24,33H,7-8,10,13-14H2,1-6H3,(H,29,31)/t17-,18?,20+,22+,24?/m0/s1

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InChIKey

BCJWHMFDQMMITC-LHYOEDHJSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID601358044

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(Q82904131)

(3-{[7-Butyl-4,9-dimethyl-8-(4-methyl-2-oxopentyl)-2,6-dioxo-1,5-dioxonan-3-yl](methyl)carbamoyl}-2-hydroxyphenyl)methanimidic acid

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Identifiers

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