EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116361 - 2-[[[2-amino-1-(3-methoxypropyl)-3-pyrrolo[3,2-b]quinoxalinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester

ChEBI IDCHEBI:116361
ChEBI Name2-[[[2-amino-1-(3-methoxypropyl)-3-pyrrolo[3,2-b]quinoxalinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC26H29N5O4S
Net Charge0
Average Mass507.616
Monoisotopic Mass507.19403
SMILESCCOC(=O)c1c(NC(=O)c2c(N)n(CCCOC)c3nc4ccccc4nc23)sc2c1CCCC2
InChIInChI=1S/C26H29N5O4S/c1-3-35-26(33)19-15-9-4-7-12-18(15)36-25(19)30-24(32)20-21-23(31(22(20)27)13-8-14-34-2)29-17-11-6-5-10-16(17)28-21/h5-6,10-11H,3-4,7-9,12-14,27H2,1-2H3,(H,30,32)
InChIKeyKNRRWJMZMCKYOX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[[2-amino-1-(3-methoxypropyl)-3-pyrrolo[3,2-b]quinoxalinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester (CHEBI:116361) is a quinoxaline derivative (CHEBI:38771)
Manual XrefsDatabases
LSM-27815LINCS