EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44907 - (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID

Default Structure
ChEBI IDCHEBI:44907
ChEBI Name(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID
Stars
Last Modified2 December 2009
DownloadsMolfile
FormulaC25H20N2O3S
Net Charge0
Average Mass428.513
Monoisotopic Mass428.11946
SMILES[H]OC(=O)C([H])([H])[C@]([H])(c1c([H])c([H])c([H])c([H])c1[H])N([H])C(=O)c1sc([H])c(-c2c([H])c([H])c(-c3c([H])c([H])nc([H])c3[H])c([H])c2[H])c1[H]
InChIInChI=1S/C25H20N2O3S/c28-24(29)15-22(20-4-2-1-3-5-20)27-25(30)23-14-21(16-31-23)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-14,16,22H,15H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKeyVMTJQZUZINLEKC-JOCHJYFZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID (CHEBI:44907) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACIDPDBeChem
(3R)-3-phenyl-3-({[4-(4-pyridin-4-ylphenyl)thiophen-2-yl]carbonyl}amino)propanoic acidPDBeChem
Manual XrefsDatabases
PF3PDBeChem