EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:40360 - 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID

Default Structure
ChEBI IDCHEBI:40360
ChEBI Name2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC29H31N3O7
Net Charge0
Average Mass533.581
Monoisotopic Mass533.21620
SMILES[H]OC(=O)C(=O)N(c1c([H])c([H])c([H])c([H])c1C(=O)O[H])c1c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])N([H])C(=O)C([H])([H])[H])c2c([H])c([H])c([H])c([H])c12
InChIInChI=1S/C29H31N3O7/c1-3-4-9-16-30-26(34)23(31-18(2)33)17-19-14-15-25(21-11-6-5-10-20(19)21)32(27(35)29(38)39)24-13-8-7-12-22(24)28(36)37/h5-8,10-15,23H,3-4,9,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,36,37)(H,38,39)/t23-/m0/s1
InChIKeyUESXELNYBIOROE-QHCPKHFHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID (CHEBI:40360) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACIDPDBeChem
2-[{4-[(2S)-2-(acetylamino)-3-oxo-3-(pentylamino)propyl]naphthalen-1-yl}(carboxycarbonyl)amino]benzoic acidPDBeChem
Manual XrefsDatabases
989PDBeChem