CHEBI:109131 - 5-[5-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

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ChEBI Name 5-[5-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
ChEBI ID CHEBI:109131
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H22N2O5S
Net Charge 0
Average Mass 414.477
Monoisotopic Mass 414.12494
InChI InChI=1S/C21H22N2O5S/c24-20(6-3-7-21(25)26)22-12-10-16-14-17(8-9-18(16)22)29(27,28)23-13-11-15-4-1-2-5-19(15)23/h1-2,4-5,8-9,14H,3,6-7,10-13H2,(H,25,26)
InChIKey AWYXXQVWOOKQND-UHFFFAOYSA-N
SMILES C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)CCCC(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 5-[5-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid (CHEBI:109131) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-20529 LINCS
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