(Q82893251)

English

N-(2-{[1-Hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propylidene]amino}ethyl)-5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanimidic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

685.9920723759999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₈I₂N₄O₄S

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canonical SMILES

O=C(CCCCC1SCC2NC(=O)NC21)NCCNC(=O)CCc1cc(I)c(O)c(I)c1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCNC(=O)CCC3=CC(=C(C(=C3)I)O)I)NC(=O)N2

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Identifiers

InChI

InChI=1S/C21H28I2N4O4S/c22-13-9-12(10-14(23)20(13)30)5-6-18(29)25-8-7-24-17(28)4-2-1-3-16-19-15(11-32-16)26-21(31)27-19/h9-10,15-16,19,30H,1-8,11H2,(H,24,28)(H,25,29)(H2,26,27,31)/t15-,16-,19-/m0/s1

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InChIKey

ZADYZPFVEWLGRJ-BXWFABGCSA-N

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matched by identifier from

InChIKey

ZADYZPFVEWLGRJ-BXWFABGCSA-N

1 reference

1 reference

matched by identifier from

InChIKey

ZADYZPFVEWLGRJ-BXWFABGCSA-N

DSSTOX compound identifier

DTXCID201349475

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(Q82893251)

N-(2-{[1-Hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propylidene]amino}ethyl)-5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanimidic acid

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