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CHEBI:46530 - 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID

Default Structure
ChEBI IDCHEBI:46530
ChEBI Name4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC29H28N4O6S
Net Charge0
Average Mass560.632
Monoisotopic Mass560.17296
SMILES[H]OC(=O)C([H])([H])[C@@]([H])(C([H])=O)N([H])C(=O)[C@]([H])(c1sc([H])c([H])c1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)c1c([H])c([H])c(Oc2nc3c([H])c([H])c([H])c([H])c3nc2[H])c([H])c1[H]
InChIInChI=1S/C29H28N4O6S/c34-18-20(16-27(35)36)32-29(38)22(25-9-5-15-40-25)6-3-4-14-30-28(37)19-10-12-21(13-11-19)39-26-17-31-23-7-1-2-8-24(23)33-26/h1-2,5,7-13,15,17-18,20,22H,3-4,6,14,16H2,(H,30,37)(H,32,38)(H,35,36)/t20-,22-/m0/s1
InChIKeyDJLHSAXTGGXZPX-UNMCSNQZSA-N
ChEBI Ontology
Outgoing Relation(s)
4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID (CHEBI:46530) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S)-4-oxo-3-{[(2R)-6-({[4-(quinoxalin-2-yloxy)phenyl]carbonyl}amino)-2-thiophen-2-ylhexanoyl]amino}butanoic acidPDBeChem
4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACIDPDBeChem
Manual XrefsDatabases
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