(Q82007393)

English

(2z)-4-(2-{[2-(|A-alanylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino}phenyl)-2-iminobutanoic 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

430.1852345519999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₄O₆

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based on heuristic

inferred from SMILES

canonical SMILES

N=C(CCc1ccccc1NC(CNC(=O)CCN)c1cc(O)c(O)c(O)c1)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C21H26N4O6/c22-8-7-19(28)24-11-16(13-9-17(26)20(29)18(27)10-13)25-15-4-2-1-3-12(15)5-6-14(23)21(30)31/h1-4,9-10,16,23,25-27,29H,5-8,11,22H2,(H,24,28)(H,30,31)

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InChIKey

RAHPRVPDZOYRGZ-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

RAHPRVPDZOYRGZ-UHFFFAOYSA-N

1 reference

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DSSTOX compound identifier

DTXCID20227974

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NSC number

39112

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(Q82007393)

(2z)-4-(2-{[2-(|A-alanylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino}phenyl)-2-iminobutanoic acid

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