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CHEBI:115549 - 2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester

Default Structure
ChEBI IDCHEBI:115549
ChEBI Name2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester
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DownloadsMolfile
FormulaC26H27N3O6S
Net Charge0
Average Mass509.584
Monoisotopic Mass509.16206
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cccnc1SCC(=O)NCc1ccccc1OC
InChIInChI=1S/C26H27N3O6S/c1-33-21-11-5-3-8-18(21)14-28-23(30)16-35-26(32)20-10-7-13-27-25(20)36-17-24(31)29-15-19-9-4-6-12-22(19)34-2/h3-13H,14-17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyFVPQHDUJMGOBLU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester (CHEBI:115549) is a aromatic carboxylic acid (CHEBI:33859)
2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester (CHEBI:115549) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-27006LINCS