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(Q82096832)
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English
[4-[[3-[[3-[(4-phosphonophenyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]phenyl]phosphonic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
610.4494
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₂₄N₄O₉P₂
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canonical SMILES
C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)P(=O)(O)O)C(=O)NC4=CC=C(C=C4)P(=O)(O)O
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Identifiers
InChI
InChI=1S/C27H24N4O9P2/c32-25(28-19-7-11-23(12-8-19)41(35,36)37)17-3-1-5-21(15-17)30-27(34)31-22-6-2-4-18(16-22)26(33)29-20-9-13-24(14-10-20)42(38,39)40/h1-16H,(H,28,32)(H,29,33)(H2,30,31,34)(H2,35,36,37)(H2,38,39,40)
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InChIKey
YHPKYTAIYYPCIH-UHFFFAOYSA-N
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CAS Registry Number
111129-24-9
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PubChem CID
451428
1 reference
matched by identifier from
InChIKey
InChIKey
YHPKYTAIYYPCIH-UHFFFAOYSA-N
UniChem compound ID
33595648
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50332323
1 reference
matched by identifier from
InChIKey
InChIKey
YHPKYTAIYYPCIH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40283416
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