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(Q82524219)
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English
{1-(tert-Butoxycarbonyl)-5-[4-(tert-butoxycarbonyl)piperazine-1-sulfonyl]-1H-indol-2-yl}boronic acid
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
509.20031638399985
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₂BN₃O₈S
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canonical SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)OC(C)(C)C)(O)O
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Identifiers
InChI
InChI=1S/C22H32BN3O8S/c1-21(2,3)33-19(27)24-9-11-25(12-10-24)35(31,32)16-7-8-17-15(13-16)14-18(23(29)30)26(17)20(28)34-22(4,5)6/h7-8,13-14,29-30H,9-12H2,1-6H3
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InChIKey
GHBMDYBVWIQCIF-UHFFFAOYSA-N
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CAS Registry Number
503045-77-0
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PubChem CID
21963088
1 reference
matched by identifier from
InChIKey
InChIKey
GHBMDYBVWIQCIF-UHFFFAOYSA-N
UniChem compound ID
49368973
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70620870
1 reference
matched by identifier from
InChIKey
InChIKey
GHBMDYBVWIQCIF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00571624
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