EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:45235 - 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID

Default Structure
ChEBI IDCHEBI:45235
ChEBI Name4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H25N5O5S
Net Charge0
Average Mass531.594
Monoisotopic Mass531.15764
SMILES[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)C([H])([H])[H])N([H])C(=O)C([H])([H])c1sc(C([H])([H])N([H])C(=O)c2c([H])c([H])c(N([H])c3nc4c([H])c([H])c([H])c([H])c4nc3[H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C27H25N5O5S/c1-16(33)23(13-26(35)36)32-25(34)12-19-10-11-20(38-19)14-29-27(37)17-6-8-18(9-7-17)30-24-15-28-21-4-2-3-5-22(21)31-24/h2-11,15,23H,12-14H2,1H3,(H,29,37)(H,30,31)(H,32,34)(H,35,36)/t23-/m0/s1
InChIKeyAWDWUMHUHQJTTM-QHCPKHFHSA-N
ChEBI Ontology
Outgoing Relation(s)
4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID (CHEBI:45235) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S)-4-oxo-3-[({5-[({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)methyl]thiophen-2-yl}acetyl)amino]pentanoic acidPDBeChem
4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACIDPDBeChem
Manual XrefsDatabases
Q2YPDBeChem