(Q82987067)

English

5-Amino-2-{[3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4,4a,5,6,7,8-hexahydro-3H-2-benzopyran-4-yl]amino}-4-oxohexanimidic acid

group of stereoisomers with the chemical formula C₁₇H₂₅Cl₂N₃O₇

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Statements

group of stereoisomers

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chemical compound

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453.10695549999997 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₅Cl₂N₃O₇

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based on heuristic

inferred from SMILES

canonical SMILES

CC(N)C(=O)CC(NC1C2C(=C(O)OC1(C)C(Cl)Cl)C(=O)CC(O)C2O)C(=N)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](N)C(=O)C[C@H](N[C@H]1C2C(=C(O)O[C@]1(C)C(Cl)Cl)C(=O)C[C@H](O)[C@H]2O)C(N)=O

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C17H25Cl2N3O7/c1-5(20)7(23)3-6(14(21)27)22-13-11-10(8(24)4-9(25)12(11)26)15(28)29-17(13,2)16(18)19/h5-6,9,11-13,16,22,25-26,28H,3-4,20H2,1-2H3,(H2,21,27)/t5-,6-,9-,11?,12+,13-,17-/m0/s1

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OHEGFVQYOWWYOR-QTHYPXODSA-N

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID801422605

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